SCHEMBL9369249

SCHEMBL9369249

CC(C)Cc1ccc(C(Cc2ccc(C(=O)n3cc(CCCC(=O)O)c4ccccc43)cc2)c2ccc(CC(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.48
SRD5A1 P18405 6/20 0.48
SRD5A2 P31213 6/20 0.48
ALOX5AP P20292 3/20 0.42
PTGS2 P35354 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR6 P50406 2/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
HTR1F P30939 1/20 0.39
HTR7 P34969 1/20 0.39
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
ALOX5 P09917 1/20 0.37
LTC4S Q16873 1/20 0.37
THRB P10828 2/20 0.37

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
SCHEMBL9374844 0.93 OXER1 (0.48) OXER1SRD5A1SRD5A2ALOX5APPTGS2
SCHEMBL9372909 0.92 OXER1 (0.50) OXER1SRD5A1SRD5A2ALOX5APPTGS2
SCHEMBL9369752 0.92 OXER1 (0.47) OXER1SRD5A1SRD5A2ALOX5APPTGS2
SCHEMBL9538732 0.89 SRD5A2 (0.49) OXER1SRD5A1SRD5A2KDM4EHPGD
SCHEMBL9429199 0.89 SRD5A1 (0.54) OXER1SRD5A1SRD5A2ALOX5APPTGS2
SCHEMBL9369218 0.89 SRD5A2 (0.63) OXER1SRD5A1SRD5A2ALOX5APPTGS2
SCHEMBL9369182 0.89 SRD5A1 (0.54) OXER1SRD5A1SRD5A2ALOX5APPTGS2
SCHEMBL9429193 0.89 OXER1 (0.47) OXER1SRD5A1SRD5A2ALOX5APPTGS2
SCHEMBL9538738 0.87 SRD5A1 (0.47) OXER1SRD5A1SRD5A2HTR6KMT2A
SCHEMBL9541180 0.86 OXER1 (0.45) OXER1SRD5A1SRD5A2ALOX5APPTGS2

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