SCHEMBL9538300

SCHEMBL9538300

CC(C)Cc1ccc(OCc2cccc(C(=O)n3cc(CCCC(=O)O)c4ccccc43)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 11/20 0.46
OXER1 Q8TDS5 1/20 0.45
FFAR4 Q5NUL3 5/20 0.44
AKR1B1 P15121 1/20 0.44
SRD5A1 P18405 3/20 0.43
SRD5A2 P31213 3/20 0.43
MRGPRX4 Q96LA9 1/20 0.42

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
SCHEMBL9369149 0.93 OXER1 (0.45) FFAR1OXER1FFAR4SRD5A1SRD5A2
SCHEMBL9369287 0.92 FFAR1 (0.45) FFAR1OXER1FFAR4AKR1B1MRGPRX4
SCHEMBL9538738 0.91 SRD5A1 (0.47) FFAR1OXER1FFAR4AKR1B1SRD5A1
SCHEMBL9369456 0.89 OXER1 (0.49) OXER1SRD5A1SRD5A2
SCHEMBL9539906 0.88 PTGER1 (0.46) OXER1FFAR4MRGPRX4
SCHEMBL9538924 0.87 OXER1 (0.46) FFAR1OXER1FFAR4MRGPRX4
SCHEMBL9369752 0.87 OXER1 (0.47) OXER1SRD5A1SRD5A2
SCHEMBL9538931 0.86 SRD5A1 (0.46) OXER1SRD5A1SRD5A2
SCHEMBL9538732 0.85 SRD5A2 (0.49) FFAR1OXER1SRD5A1SRD5A2
SCHEMBL9371152 0.85 SRD5A2 (0.55) FFAR1OXER1SRD5A1SRD5A2

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