SCHEMBL9369752

SCHEMBL9369752

CC(C)Cc1ccc(C(Cc2cccc(C(=O)n3cc(CCCC(=O)O)c4ccccc43)c2)c2ccc(CC(C)C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.47
SRD5A1 P18405 4/20 0.47
SRD5A2 P31213 4/20 0.47
ALOX5AP P20292 4/20 0.42
ALOX5 P09917 1/20 0.40
LTC4S Q16873 1/20 0.40
PTGS2 P35354 1/20 0.38
HTR6 P50406 2/20 0.38
HTR1A P08908 1/20 0.38
HTR1D P28221 1/20 0.38
HTR1B P28222 1/20 0.38
HTR1F P30939 1/20 0.38
HTR7 P34969 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CREBBP Q92793 1/20 0.38
LMNA P02545 1/20 0.37
PPARG P37231 1/20 0.37
THRA P10827 1/20 0.36

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
SCHEMBL9538931 0.94 SRD5A1 (0.46) OXER1SRD5A1SRD5A2ALOX5APALOX5
SCHEMBL9369456 0.92 OXER1 (0.49) OXER1SRD5A1SRD5A2HTR6HTR1A
SCHEMBL9369249 0.92 OXER1 (0.48) OXER1SRD5A1SRD5A2ALOX5APALOX5
SCHEMBL9371152 0.87 SRD5A2 (0.55) OXER1SRD5A1SRD5A2ALOX5APALOX5
SCHEMBL9538300 0.87 FFAR1 (0.46) OXER1SRD5A1SRD5A2
SCHEMBL9374478 0.86 SRD5A1 (0.45) OXER1SRD5A1SRD5A2ALOX5APALOX5
SCHEMBL9148425 0.86 SRD5A1 (0.64) OXER1SRD5A1SRD5A2ALOX5APALOX5
SCHEMBL9368634 0.86 OXER1 (0.44) OXER1SRD5A1SRD5A2ALOX5APHTR6
SCHEMBL9369149 0.85 OXER1 (0.45) OXER1SRD5A1SRD5A2HTR6HTR1A
SCHEMBL9374844 0.85 OXER1 (0.48) OXER1SRD5A1SRD5A2ALOX5APALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0600084-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-08 EP disclosed
WO-1993003012-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-18 WO disclosed