SCHEMBL414198

SCHEMBL414198

Cc1ccc2c(c1)CCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.52
RAB9A P51151 4/20 0.52
POLB P06746 2/20 0.52
RAPGEF4 Q8WZA2 1/20 0.50
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 1/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
THRB P10828 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
DPP4 P27487 1/20 0.44
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA7 P43166 1/20 0.43
CA14 Q9ULX7 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43

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
SCHEMBL597333 0.95 DPP4 (0.49) NPC1RAB9APOLBRAPGEF4ALDH1A1
SCHEMBL22005789 0.92 DPP4 (0.47) NPC1RAB9APOLBRAPGEF4ALDH1A1
Acetic Acid SCHEMBL27990190 0.87 NPC1 (0.56) NPC1RAB9APOLBALDH1A1SMN1; SMN2
Phosphonic Acid SCHEMBL11425732 0.83 NPC1 (0.47) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL5146565 0.81 METAP1 (0.44) NPC1RAB9APOLBRAPGEF4ALDH1A1
SCHEMBL12430501 0.81 METAP1 (0.44) NPC1RAB9APOLBRAPGEF4ALDH1A1
SCHEMBL24228558 0.80 NOTUM (0.43) NPC1RAB9APOLBRAPGEF4ALDH1A1
SCHEMBL6905898 0.79 ALDH1A1 (0.47) NPC1RAB9APOLBALDH1A1SMN1; SMN2
SCHEMBL7644668 0.78 DRD1 (0.52)
SCHEMBL10232037 0.78 HTR2C (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116371129-A System and method for recycling tail gas of indane synthesis section in production of musk with cola 安徽金轩科技有限公司 2023-07-04 CN claimed
US-8895789-B2 Fuel composition for use in gasoline engines SHELL OIL COMPANY (US) 2014-11-25 US claimed
EP-1670446-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2006-06-21 EP claimed
WO-2005030185-A2 METHOD OF INHIBITING REMNANT LIPOPROTEIN PRODUCTION JAPAN TOBACCO INC. (JP) 2005-04-07 WO claimed
EP-0353798-B1 Treatment of gelling agents UNILEVER NV (NL) 1994-12-07 EP claimed
US-5145704-A Purification by membrane filtration VAN DEN BERGH FOODS CO., DIVISION OF CONOPCO, INC. (US) 1992-09-08 US claimed
EP-0192492-B1 PEPTIDES CONTAINING AN ALIPHATIC-AROMATIC KETONE SIDE CHAIN THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 1992-01-02 EP claimed
EP-0353798-A2 Treatment of gelling agents UNILEVER N.V. (NL) 1990-02-07 EP claimed
US-4357342-A 1-Azabicyclo[3.2.0]heptan-3,7-dione-2-carboxylic acid MERCK & CO., INC. (US) 1982-11-02 US claimed
US-4311704-A ANTIBIOTICS MERCK & CO., INC. (US) 1982-01-19 US claimed
US-4235917-A N-Alkyl-N-acyl derivatives of thienamycin MERCK & CO., INC. (US) 1980-11-25 US claimed
US-4235920-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-11-25 US claimed
US-4232030-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-11-04 US claimed
US-4196211-A ANTIBIOTIC MERCK & CO., INC. (US) 1980-04-01 US claimed
US-4181733-A ANTIBIOTICS MERCK & CO., INC. (US) 1980-01-01 US claimed
EP-0001265-A1 O-, N- and carboxyl derivatives of thienamycin sulfoxide and sulfone, their preparation and pharmaceuticals containing said compounds MERCK & CO. INC. (US) 1979-04-04 EP claimed
EP-0001264-A1 Substituted N-methylene derivatives of thienamycin sulfoxide and sulfone and their preparation MERCK & CO. INC. (US) 1979-04-04 EP claimed
US-4078068-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-03-07 US claimed
US-4078067-A ANTIBIOTICS MERCK & CO., INC. (US) 1978-03-07 US claimed
US-4076826-A ANTIBIOTIC MERCK & CO., INC. (US) 1978-02-28 US claimed