SCHEMBL5213599

SCHEMBL5213599

COc1ccccc1-c1ccc2[nH]cc(CC(=O)Nc3cc(C)ccc3C(=O)O)c2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ICMT O60725 3/20 0.61
F2 P00734 2/20 0.46
F10 P00742 2/20 0.46
PRSS1 P07477 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 2/20 0.46
LPAR1 Q92633 1/20 0.46
ALDH1A1 P00352 1/20 0.45
HSD17B10 Q99714 1/20 0.45
USP2 O75604 2/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
CDK4 P11802 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
SCHEMBL5207800 0.85 ICMT (0.51) ICMTKDM4EUSP2LMNACYP1A2
SCHEMBL5206707 0.83 ICMT (0.53) ICMTF2F10PRSS1ALDH1A1
SCHEMBL5207887 0.83 KDM4E (0.60) KDM4EALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL5210851 0.82 MAPT (0.60) ALDH1A1HSD17B10LMNACYP1A2CYP3A4
SCHEMBL5210504 0.81 TSHR (0.56) ICMTKDM4EMAPTNPSR1
SCHEMBL5211211 0.80 HTR1D (0.48) ICMTF2F10PRSS1GAA
SCHEMBL23701762 0.80 ICMT (0.81) ICMTKDM4EALDH1A1USP2LMNA
SCHEMBL5209045 0.79 CDK2 (0.49) ICMTKMT2AMEN1MAPTNPSR1
SCHEMBL23701732 0.79 ICMT (0.79) ICMTKDM4EALDH1A1USP2LMNA
SCHEMBL5214070 0.79 PPARG (0.57) KDM4EALDH1A1KMT2AMEN1MAPT

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
US-7288564-B2 Indole derivatives GLAXO GROUP LIMITED (GB) 2007-10-30 US claimed
EP-1343757-B1 INDOLE DERIVATIVES GLAXO GROUP LTD (GB) 2007-02-14 EP disclosed