SCHEMBL31546

SCHEMBL31546

OCc1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 1/20 1.00
RXRA P19793 2/20 0.56
NR1I2 O75469 1/20 0.53
NR4A2 P43354 1/20 0.53
PDE4D Q08499 1/20 0.53
HMGCR P04035 2/20 0.50
DHODH Q02127 1/20 0.41
GRM2 Q14416 1/20 0.40
ADORA2A P29274 1/20 0.40
FABP4 P15090 1/20 0.39
FABP5 Q01469 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GCGR P47871 3/20 0.39
SCN9A Q15858 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30060873 1.00 PRKAA2 (1.00) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL10152972 0.88 PRKAA2 (0.78) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL29419156 0.87 PRKAA2 (0.77) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL29419455 0.87 PRKAA2 (0.77) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL14749820 0.87 PRKAA2 (0.77) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL3709827 0.87 PRKAA2 (0.77) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL14753495 0.87 PRKAA2 (0.77) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL24454 0.87 PRKAA2 (0.77) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL27936537 0.86 PRKAA2 (0.76) PRKAA2RXRANR1I2NR4A2PDE4D
SCHEMBL30595115 0.86 PRKAA2 (0.74) PRKAA2RXRANR1I2NR4A2PDE4D

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 119 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109867695-B Novel preparation method of pitavastatin calcium intermediate 上虞京新药业有限公司 2021-09-17 CN claimed
CN-103483252-B Synthetic method of 2-cyclopropyl-4-(4-fluorophenyl)-3-quinolylmethanol YELLOW RIVER DELTA JINGBO RES INST CHEMICAL IND CO LTD 2015-07-22 CN claimed
CN-104072415-A Preparation method of pitavastatin calcium NANTONG CHANGYOU PHARMACEUTICAL SCIENCE & TECHNOLOGY CO LTD 2014-10-01 CN claimed
CN-103508948-A Method for preparing pitavastatin calcium ASYMCHEM LAB TIANJIN CO LTD 2014-01-15 CN claimed
CN-103508947-A Preparation method of pitavastatin calcium WEIHAI WEITAI PHARMACEUTICAL TECHNOLOGY DEV CO LTD 2014-01-15 CN claimed
CN-103483252-A Synthetic method of 2-cyclopropyl-4-(4-fluorophenyl)-3-quinolylmethanol YELLOW RIVER DELTA JINGBO RES INST CHEMICAL IND CO LTD 2014-01-01 CN claimed
EP-2387561-A2 IMPROVED PROCESS FOR THE PREPARATION OF HIGHLY PURE (3R,5S)-7-Ý2-CYCLOPROPYL-4-(4-FLUOROPHENYL) QUINOLIN-3-YL¨-3,5-DIHYDROXY-6(E)-HEPTENOIC ACID AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF MSN Laboratories Limited (IN) 2011-11-23 EP claimed
WO-2010089770-A2 IMPROVED PROCESS FOR THE PREPARATION OF HIGHLY PURE (3R,5S)-7-[2-CYCLOPROPYL-4-(4-FLUOROPHENYL) QUINOLIN-3-YL]-3,5-DIHYDROXY-6(E)-HEPTENOIC ACID AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF MSN LABORATORIES LIMITED (IN) 2010-08-12 WO claimed
CN-100445267-C Process for preparing 4-(4-fluoro-phenyl)-3- hydroxymethyl-2- cyclopropyl-quinoline SHANGHAI INST PHARM INDUSTRY (CN) 2008-12-24 CN claimed
CN-1951920-A Process for preparing 4-(4-fluoro-phenyl)-3- hydroxymethyl-2- cyclopropyl-quinoline SHANGHAI INST PHARM INDUSTRY (CN) 2007-04-25 CN claimed
CN-1193989-C preparation method of quinoline formaldehyde NISSAN CHEMICAL IND LTD (JP) 2005-03-23 CN claimed
US-6437135-B1 OXIDIZING 2-CYCLOPROPYL-4-(4-FLUOROPHENYL)-3-HYDROXYMETHYLQUINOLINE WITH A HYPOHALOGENOUS ACID SALT AND A QUATERNARY AMMONIUM SALT TO PRODUCE 2-CYCLOPROPYL-4-(4-FLUOROPHENYL)-QUINOLINE-3-CARBALDEHYDE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2002-08-20 US claimed
CN-1333752-A preparation method of quinoline formaldehyde NISSAN CHEMICAL IND LTD (JP) 2002-01-30 CN claimed
EP-1142876-A1 PROCESS FOR PRODUCING QUINOLINECARBALDEHYDE Nissan Chemical Industries, Ltd. (JP) 2001-10-10 EP claimed
JP-8027114-A None JP disclosed
CN-111747978-B Silicon-center chiral tetra-substituted silane and preparation method thereof 南方科技大学 2023-01-03 CN disclosed
CN-109867695-B Novel preparation method of pitavastatin calcium intermediate 上虞京新药业有限公司 2021-09-17 CN disclosed
JP-H0827114-A MANUFACTURE OF QUINOLINECARBOALDEHYDE SUMIKA FINE CHEM KK 1996-01-30 JP disclosed
WO-1995011898-A1 CONDENSED PYRIDINE TYPE MEVALONOLACTONE INTERMEDIATE AND PROCESS FOR ITS PRODUCTION NISSAN CHEMICAL INDUSTRIES LTD. (JP) 1995-05-04 WO disclosed
JP-H00827114-A 0001-01-01 JP disclosed