SCHEMBL9153196

SCHEMBL9153196

CC(C)Cc1ccc([N+](C)(c2ccc(CC(C)C)cc2)c2cccc(C(=O)n3cc(CCCCC(=O)O)c4ccccc43)c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.47
SRD5A1 P18405 4/20 0.42
SRD5A2 P31213 4/20 0.42
IL6ST P40189 1/20 0.37
HTR6 P50406 2/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
HTR1F P30939 1/20 0.36
HTR7 P34969 1/20 0.36
THRA P10827 2/20 0.36
THRB P10828 2/20 0.36
MCL1 Q07820 3/20 0.36
ALOX5AP P20292 3/20 0.36
CREBBP Q92793 1/20 0.35
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34

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
SCHEMBL9156276 0.99 OXER1 (0.48) OXER1SRD5A1SRD5A2IL6STHTR6
SCHEMBL9148428 0.97 OXER1 (0.46) OXER1SRD5A1SRD5A2IL6STHTR6
SCHEMBL9149130 0.95 OXER1 (0.41) OXER1SRD5A1SRD5A2IL6STHTR6
SCHEMBL9149623 0.91 OXER1 (0.46) OXER1SRD5A1SRD5A2IL6STHTR6
SCHEMBL9429193 0.89 OXER1 (0.47) OXER1SRD5A1SRD5A2IL6STHTR6
SCHEMBL9152733 0.89 AKR1C3 (0.42) SRD5A1SRD5A2HTR6HTR1AHTR1D
SCHEMBL9153124 0.88 PLA2G4A (0.38) OXER1SRD5A1SRD5A2HTR6HTR1A
SCHEMBL9150612 0.85 OXER1 (0.48) OXER1HTR6HTR1AHTR1DHTR1B
SCHEMBL9369456 0.84 OXER1 (0.49) OXER1SRD5A1SRD5A2HTR6HTR1A
SCHEMBL9369752 0.82 OXER1 (0.47) OXER1SRD5A1SRD5A2HTR6HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516849-B1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO (JP) 1995-01-25 EP disclosed
US-5283251-A Testosterone 5a-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-01 US disclosed
WO-1991013060-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-09-05 WO disclosed