SCHEMBL9538738

SCHEMBL9538738

CC(C)Cc1ccc(COc2ccc(C(=O)n3cc(CCCC(=O)O)c4ccccc43)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 3/20 0.47
SRD5A2 P31213 3/20 0.47
OXER1 Q8TDS5 1/20 0.46
FFAR1 O14842 6/20 0.45
FFAR4 Q5NUL3 2/20 0.45
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
AKR1B1 P15121 1/20 0.41
MAOB P27338 1/20 0.41
HTR6 P50406 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL9538732 0.92 SRD5A2 (0.49) SRD5A1SRD5A2OXER1FFAR1KMT2A
SCHEMBL9538300 0.91 FFAR1 (0.46) SRD5A1SRD5A2OXER1FFAR1FFAR4
SCHEMBL9368601 0.90 OXER1 (0.46) SRD5A1SRD5A2OXER1FFAR1FFAR4
SCHEMBL9539117 0.89 OXER1 (0.52) SRD5A1SRD5A2OXER1FFAR1FFAR4
SCHEMBL9372909 0.89 OXER1 (0.50) SRD5A1SRD5A2OXER1FFAR1KMT2A
SCHEMBL9369218 0.88 SRD5A2 (0.63) SRD5A1SRD5A2OXER1FFAR1KMT2A
SCHEMBL9369182 0.88 SRD5A1 (0.54) SRD5A1SRD5A2OXER1FFAR1KMT2A
SCHEMBL9369249 0.87 OXER1 (0.48) SRD5A1SRD5A2OXER1KMT2AHTR6
SCHEMBL9374844 0.86 OXER1 (0.48) SRD5A1SRD5A2OXER1KMT2AMEN1
SCHEMBL9368551 0.85 SRD5A1 (0.49) SRD5A1SRD5A2FFAR1FFAR4HTR6

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