SCHEMBL9538732

SCHEMBL9538732

CC(C)Cc1ccc(Oc2ccc(C(=O)n3cc(CCCC(=O)O)c4ccccc43)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 7/20 0.49
SRD5A1 P18405 6/20 0.49
OXER1 Q8TDS5 1/20 0.48
HTR6 P50406 1/20 0.43
FFAR1 O14842 1/20 0.42
PTGER4 P35408 1/20 0.41
PLA2G4A P47712 2/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MCL1 Q07820 1/20 0.39
AKR1C4 P17516 1/20 0.39
PTGS1 P23219 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 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
SCHEMBL9538738 0.92 SRD5A1 (0.47) SRD5A2SRD5A1OXER1HTR6FFAR1
SCHEMBL9372909 0.91 OXER1 (0.50) SRD5A2SRD5A1OXER1HTR6FFAR1
SCHEMBL9369182 0.90 SRD5A1 (0.54) SRD5A2SRD5A1OXER1HTR6FFAR1
SCHEMBL9369218 0.90 SRD5A2 (0.63) SRD5A2SRD5A1OXER1HTR6FFAR1
SCHEMBL9369249 0.89 OXER1 (0.48) SRD5A2SRD5A1OXER1HTR6KMT2A
SCHEMBL9374844 0.89 OXER1 (0.48) SRD5A2SRD5A1OXER1HTR6KMT2A
SCHEMBL9429193 0.88 OXER1 (0.47) SRD5A2SRD5A1OXER1HTR6KMT2A
SCHEMBL9541178 0.85 OXER1 (0.45) SRD5A2SRD5A1OXER1HTR6KMT2A
SCHEMBL9541180 0.85 OXER1 (0.45) SRD5A2SRD5A1OXER1HTR6KMT2A
SCHEMBL9368601 0.85 OXER1 (0.46) SRD5A2SRD5A1OXER1HTR6FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993003012-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-18 WO disclosed