SCHEMBL5319595

SCHEMBL5319595

CC(C)Oc1ccc(-n2c(C(=O)O)cc3cc(O)ccc32)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 2/20 0.67
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
KMT2A Q03164 1/20 0.43
HPGD P15428 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HSD17B10 Q99714 2/20 0.42
KDM4E B2RXH2 1/20 0.42
SRD5A2 P31213 1/20 0.39
MCL1 Q07820 4/20 0.39
BRD4 O60885 1/20 0.39
BRPF1 P55201 1/20 0.39
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ABCB11 O95342 1/20 0.39

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
SCHEMBL3574806 0.88 PTGES (0.85) PTGESALDH1A1TSHRKMT2AHPGD
SCHEMBL4924661 0.88 PTGES (0.67) PTGESALDH1A1TSHRKMT2AHPGD
SCHEMBL3001458 0.85 PTGES (0.51) PTGESALDH1A1TSHRKMT2AHPGD
SCHEMBL4918706 0.84 PTGES (0.64) PTGESALDH1A1TSHRKMT2AHPGD
SCHEMBL3579996 0.83 PTGES (0.78) PTGESALDH1A1TSHRKMT2AHPGD
SCHEMBL3574862 0.82 PTGES (0.77) PTGESALDH1A1TSHRKMT2AHPGD
SCHEMBL4914078 0.82 PTGES (0.61) PTGESALDH1A1TSHRKMT2AHPGD
SCHEMBL4914068 0.82 PTGES (0.60) PTGESALDH1A1TSHRKMT2AHPGD
SCHEMBL3573824 0.82 PTGES (0.72) PTGESALDH1A1TSHRKMT2AHPGD
SCHEMBL4923416 0.82 PTGES (0.60) PTGESALDH1A1TSHRKMT2AHPGD

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
EP-1844013-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION Biolipox AB (SE) 2007-10-17 EP disclosed
WO-2006077364-A1 INDOLES USEFUL IN THE TREATMENT OF INFLAMMATION BIOLIPOX AB (SE) 2006-07-27 WO disclosed