SCHEMBL9429199

SCHEMBL9429199

CC(C)Cc1ccc(C(Nc2ccc(C(=O)n3cc(CCCC(=O)O)c4ccccc43)cc2)c2ccc(CC(C)C)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 6/20 0.54
SRD5A2 P31213 6/20 0.54
OXER1 Q8TDS5 1/20 0.44
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
KDM4E B2RXH2 2/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
ALOX5AP P20292 2/20 0.39
PTGS2 P35354 1/20 0.38
CREBBP Q92793 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
IDE P14735 1/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
KMT2A Q03164 1/20 0.36
HTR1A P08908 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
SCHEMBL9148425 0.91 SRD5A1 (0.64) SRD5A1SRD5A2OXER1KDM4EHPGD
SCHEMBL9369249 0.89 OXER1 (0.48) SRD5A1SRD5A2OXER1KDM4EHPGD
SCHEMBL9153190 0.88 SRD5A1 (0.64) SRD5A1SRD5A2OXER1KDM4EHPGD
SCHEMBL9374844 0.88 OXER1 (0.48) SRD5A1SRD5A2OXER1HDAC3HDAC1
SCHEMBL9156270 0.88 SRD5A1 (0.63) SRD5A1SRD5A2OXER1KDM4EHPGD
SCHEMBL9372909 0.87 OXER1 (0.50) SRD5A1SRD5A2OXER1KDM4EHPGD
SCHEMBL9149126 0.86 SRD5A1 (0.62) SRD5A1SRD5A2OXER1KDM4EALOX5AP
SCHEMBL9150072 0.85 SRD5A2 (0.52) SRD5A1SRD5A2OXER1KDM4EHPGD
SCHEMBL9538732 0.84 SRD5A2 (0.49) SRD5A1SRD5A2OXER1KDM4EHPGD
SCHEMBL9369182 0.84 SRD5A1 (0.54) SRD5A1SRD5A2OXER1KDM4EHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5283251-A Testosterone 5a-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-02-01 US disclosed