SCHEMBL9539117

SCHEMBL9539117

CCCc1ccc(COc2ccc(C(=O)n3cc(CCCC(=O)O)c4ccccc43)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.52
FFAR1 O14842 7/20 0.46
KMT2A Q03164 3/20 0.46
FFAR4 Q5NUL3 2/20 0.46
MEN1 O00255 1/20 0.46
SRD5A1 P18405 1/20 0.46
SRD5A2 P31213 1/20 0.46
SENP8 Q96LD8 1/20 0.43
SENP7 Q9BQF6 1/20 0.43
SENP6 Q9GZR1 1/20 0.43
AKR1B1 P15121 1/20 0.43
HTR6 P50406 1/20 0.42
PLA2G4A P47712 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
BLM P54132 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
SCHEMBL9538738 0.89 SRD5A1 (0.47) OXER1FFAR1KMT2AFFAR4MEN1
SCHEMBL9373201 0.84 OXER1 (0.53) OXER1KMT2AMEN1HTR6BLM
SCHEMBL9374294 0.83 OXER1 (0.51) OXER1KMT2AMEN1HTR6BLM
SCHEMBL9368601 0.82 OXER1 (0.46) OXER1FFAR1KMT2AFFAR4MEN1
SCHEMBL9369287 0.82 FFAR1 (0.45) OXER1FFAR1FFAR4AKR1B1
SCHEMBL9538300 0.81 FFAR1 (0.46) OXER1FFAR1FFAR4SRD5A1SRD5A2
SCHEMBL5444461 0.80 OXER1 (0.64) OXER1KMT2AHTR6
SCHEMBL9538732 0.80 SRD5A2 (0.49) OXER1FFAR1KMT2AMEN1SRD5A1
SCHEMBL9368881 0.78 KMT2A (0.45) OXER1KMT2AMEN1HTR6BLM
SCHEMBL9154277 0.77 OXER1 (0.55) OXER1KMT2AMEN1HTR6

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