SCHEMBL9153124

SCHEMBL9153124

CC(C)Cc1ccc([N+](C)(c2ccc(CC(C)C)cc2)c2cccc(C(=O)n3cc(CCCC(=O)O)c4cc(Cl)ccc43)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G4A P47712 7/20 0.38
AKR1C3 P42330 4/20 0.38
AKR1C2 P52895 3/20 0.38
AKR1C4 P17516 1/20 0.38
PTGS1 P23219 1/20 0.38
HTR6 P50406 2/20 0.37
HTR1A P08908 1/20 0.37
HTR1D P28221 1/20 0.37
HTR1B P28222 1/20 0.37
HTR1F P30939 1/20 0.37
HTR7 P34969 1/20 0.37
ALOX5AP P20292 2/20 0.36
ALOX5 P09917 1/20 0.36
LTC4S Q16873 1/20 0.36
SRD5A1 P18405 1/20 0.36
SRD5A2 P31213 1/20 0.36
OXER1 Q8TDS5 1/20 0.35
PTGER1 P34995 1/20 0.35
MAPK8 P45983 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
SCHEMBL9148428 0.90 OXER1 (0.46) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL9153196 0.88 OXER1 (0.47) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL9156276 0.87 OXER1 (0.48) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL9149130 0.86 OXER1 (0.41) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL9150612 0.85 OXER1 (0.48) AKR1C3AKR1C2AKR1C4PTGS1HTR6
SCHEMBL9149623 0.84 OXER1 (0.46) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL9153111 0.83 SRD5A1 (0.55) PLA2G4AAKR1C3AKR1C2AKR1C4PTGS1
SCHEMBL9429193 0.82 OXER1 (0.47) HTR6HTR1AHTR1DHTR1BHTR1F
SCHEMBL9538976 0.80 PPARD (0.41) PLA2G4AAKR1C3AKR1C2AKR1C4PTGS1
SCHEMBL9152733 0.80 AKR1C3 (0.42) AKR1C3AKR1C2AKR1C4PTGS1HTR6

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