SCHEMBL9335671

SCHEMBL9335671

CC(C)Cc1ccc([N+](C)(c2ccc(CC(C)C)cc2)c2cccc(Cc3cn(C(=O)CCC(=O)O)c4ccccc34)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.41
SRD5A1 P18405 4/20 0.40
SRD5A2 P31213 4/20 0.40
PLA2G4A P47712 2/20 0.37
ALOX5AP P20292 2/20 0.35
TACR2 P21452 1/20 0.35
TACR1 P25103 1/20 0.35
TP53 P04637 1/20 0.35
MDM2 Q00987 1/20 0.35
MCL1 Q07820 2/20 0.35
BCL2L1 Q07817 2/20 0.35
PTGS2 P35354 1/20 0.34
HDAC3 O15379 1/20 0.34
CREBBP Q92793 1/20 0.34
ALOX5 P09917 1/20 0.33
LTC4S Q16873 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL9335764 0.85 SRD5A1 (0.52) SRD5A1SRD5A2MCL1HDAC3CREBBP
SCHEMBL9149130 0.83 OXER1 (0.41) OXER1SRD5A1SRD5A2ALOX5APPTGS2
SCHEMBL9335665 0.81 SRD5A1 (0.59) OXER1SRD5A1SRD5A2PLA2G4AALOX5AP
SCHEMBL9148428 0.81 OXER1 (0.46) OXER1SRD5A1SRD5A2ALOX5APTP53
SCHEMBL9153196 0.80 OXER1 (0.47) OXER1SRD5A1SRD5A2ALOX5APMCL1
SCHEMBL9152733 0.80 AKR1C3 (0.42) SRD5A1SRD5A2ALOX5APPTGS2CREBBP
SCHEMBL9156276 0.79 OXER1 (0.48) OXER1SRD5A1SRD5A2ALOX5APMCL1
SCHEMBL9149623 0.78 OXER1 (0.46) OXER1SRD5A1SRD5A2ALOX5APMCL1
SCHEMBL8792776 0.77 SRD5A1 (0.61) SRD5A1SRD5A2MCL1CREBBP
SCHEMBL9334438 0.76 CNR1 (0.46) SRD5A1SRD5A2MCL1HDAC3CREBBP

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
US-5312829-A Testosterone 5alpha-reductase inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-05-17 US disclosed
US-5212320-A Enzyme inhibitors FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-05-18 US disclosed
EP-0458207-A2 Indole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-11-27 EP disclosed