SCHEMBL7253530

SCHEMBL7253530

CCn1c(C=O)cc(C)c1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 5/20 0.37
MEN1 O00255 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
USP2 O75604 1/20 0.36
KDM4E B2RXH2 3/20 0.35
GPR35 Q9HC97 1/20 0.35
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
POLB P06746 3/20 0.33
THRB P10828 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
NPC1 O15118 1/20 0.32
PTGER4 P35408 1/20 0.31
ATM Q13315 1/20 0.31

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
SCHEMBL891105 0.78 KDM4E (0.44) KMT2AALDH1A1MEN1SMN1; SMN2USP2
SCHEMBL257495 0.68 FNTA (0.45) KMT2AALDH1A1MEN1SMN1; SMN2KDM4E
SCHEMBL12397750 0.68 HSD17B10 (0.46) KMT2AALDH1A1SMN1; SMN2KDM4EPOLB
SCHEMBL31419458 0.64 ALDH1A1 (0.40) KMT2AALDH1A1MEN1KDM4EMAPT
SCHEMBL9897985 0.64 POLB (0.42) KMT2AALDH1A1MEN1SMN1; SMN2USP2
SCHEMBL21295090 0.63 ADORA2B (0.36) PTGER4
SCHEMBL17434335 0.63 POLB (0.40) ALDH1A1KDM4EMAPTPOLBL3MBTL1
SCHEMBL4957913 0.63 GPR35 (0.50) KMT2AALDH1A1MEN1KDM4EGPR35
SCHEMBL1783441 0.62 MEN1 (0.33) KMT2AALDH1A1MEN1SMN1; SMN2USP2
SCHEMBL27210056 0.62 CYP1A2 (0.46) KMT2AALDH1A1MEN1SMN1; SMN2USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003035614-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 WO claimed
WO-2003035614-A2 TYROSINE KINASE INHIBITORS MERCK & CO., INC. (US) 2003-05-01 WO disclosed