SCHEMBL9368472

SCHEMBL9368472

CC(C)Cc1ccc(/C=C/c2cccc(C(=O)n3cc(CCCC(=O)O)c4ccccc43)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.46
SRD5A1 P18405 4/20 0.43
SRD5A2 P31213 4/20 0.43
CYSLTR2 Q9NS75 4/20 0.39
CYSLTR1 Q9Y271 4/20 0.39
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 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX5AP P20292 2/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
CREBBP Q92793 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
SCHEMBL9538729 1.00 OXER1 (0.46) OXER1SRD5A1SRD5A2CYSLTR2CYSLTR1
SCHEMBL9538946 0.89 OXER1 (0.44) OXER1SRD5A1SRD5A2HTR6HTR1A
SCHEMBL9538942 0.89 OXER1 (0.44) OXER1SRD5A1SRD5A2HTR6HTR1A
SCHEMBL9369456 0.87 OXER1 (0.49) OXER1SRD5A1SRD5A2HTR6HTR1A
SCHEMBL9369752 0.85 OXER1 (0.47) OXER1SRD5A1SRD5A2HTR6HTR1A
SCHEMBL9538931 0.84 SRD5A1 (0.46) OXER1SRD5A1SRD5A2HTR6HTR1A
SCHEMBL9541409 0.83 OXER1 (0.46) OXER1SRD5A1SRD5A2HTR6HTR1A
SCHEMBL9148428 0.83 OXER1 (0.46) OXER1SRD5A1SRD5A2HTR6HTR1A
SCHEMBL9372909 0.83 OXER1 (0.50) OXER1SRD5A1SRD5A2HTR6HTR1A
SCHEMBL9541180 0.83 OXER1 (0.45) 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 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