SCHEMBL9153111

SCHEMBL9153111

CC(C)Cc1ccc(C(Nc2cccc(C(=O)n3cc(CCCC(=O)O)c4cc(Cl)ccc43)c2)c2ccc(CC(C)C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 1/20 0.55
SRD5A2 P31213 1/20 0.55
ALOX5AP P20292 2/20 0.38
ALOX5 P09917 1/20 0.38
LTC4S Q16873 1/20 0.38
PLA2G4A P47712 5/20 0.37
AKR1C3 P42330 4/20 0.37
AKR1C2 P52895 3/20 0.37
AKR1C4 P17516 1/20 0.37
PTGS1 P23219 1/20 0.37
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
HTR6 P50406 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
OXER1 Q8TDS5 1/20 0.35

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
SCHEMBL9148425 0.90 SRD5A1 (0.64) SRD5A1SRD5A2ALOX5APALOX5LTC4S
SCHEMBL9153190 0.88 SRD5A1 (0.64) SRD5A1SRD5A2ALOX5APALOX5LTC4S
SCHEMBL9156270 0.87 SRD5A1 (0.63) SRD5A1SRD5A2ALOX5APALOX5LTC4S
SCHEMBL9149126 0.86 SRD5A1 (0.62) SRD5A1SRD5A2ALOX5APALOX5LTC4S
SCHEMBL9150606 0.85 SRD5A1 (0.49) SRD5A1SRD5A2AKR1C3AKR1C2AKR1C4
SCHEMBL9149618 0.83 SRD5A1 (0.55) SRD5A1SRD5A2ALOX5APHTR1AHTR1D
SCHEMBL9153124 0.83 PLA2G4A (0.38) SRD5A1SRD5A2ALOX5APALOX5LTC4S
SCHEMBL9429199 0.81 SRD5A1 (0.54) SRD5A1SRD5A2ALOX5APHTR1AHTR1D
SCHEMBL9152728 0.80 SRD5A1 (0.59) SRD5A1SRD5A2ALOX5APAKR1C3AKR1C2
SCHEMBL8792246 0.80 SRD5A1 (0.82) SRD5A1SRD5A2ALOX5APALOX5LTC4S

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