SCHEMBL4834772

SCHEMBL4834772

CCSC(=O)C[C@H](CC(C)C)Nc1c(C)cccc1O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.38
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 4/20 0.35
SCN3A Q9NY46 3/20 0.35
SCN1A P35498 2/20 0.35
SCN2A Q99250 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
ALOX15 P16050 1/20 0.35
LMNA P02545 3/20 0.34
BLM P54132 2/20 0.34
CXCR2 P25025 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33

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
SCHEMBL14064318 1.00 ANPEP (0.38) ANPEPMEN1KMT2ANPSR1MAPT
SCHEMBL28647773 0.68 ALDH1A1 (0.44) MEN1KMT2AMAPTSCN3ASCN1A
SCHEMBL7692912 0.67 ANPEP (0.38) ANPEPCXCR2
SCHEMBL11006298 0.67 MEN1 (0.45) MEN1KMT2ANPSR1MAPTSCN3A
SCHEMBL3879390 0.66 TRPA1 (0.45) ANPEPMEN1KMT2AMAPTCYP1A2
SCHEMBL12125132 0.64 ATM (0.46) ANPEPMEN1KMT2AMAPTSCN3A
SCHEMBL6884457 0.62 TRPA1 (0.41) MEN1KMT2AMAPTLMNACXCR2
SCHEMBL3879535 0.62 TRPA1 (0.41) MEN1KMT2AMAPTSCN3ACYP1A2
SCHEMBL28461406 0.62 KMT2A (0.40) MEN1KMT2AMAPTSCN3ASCN1A
SCHEMBL5034451 0.62 POLB (0.51) NPSR1MAPTLMNAALDH1A1GAA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1495806-B1 CHIRAL ZIRCONIUM CATALYST JAPAN SCIENCE & TECH AGENCY (JP) 2013-12-04 EP disclosed
US-7419933-B2 Practical chiral zirconium catalyst JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2008-09-02 US disclosed
US-20050164869-A1 Practical chiral zirconium catalyst JAPAN SCIENCE AND TECHNOLOGY AGENCY (JP) 2005-07-28 US disclosed
EP-1495806-A1 PRACTICAL CHIRAL ZIRCONIUM CATALYST Japan Science and Technology Agency (JP) 2005-01-12 EP disclosed