SCHEMBL9335665

SCHEMBL9335665

CC(C)Cc1ccc(C(Nc2cccc(Cc3cn(C(=O)CCC(=O)O)c4ccccc34)c2)c2ccc(CC(C)C)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 4/20 0.59
SRD5A2 P31213 4/20 0.59
OXER1 Q8TDS5 1/20 0.39
CREBBP Q92793 1/20 0.39
ALOX5AP P20292 3/20 0.38
PTGS2 P35354 2/20 0.37
PLA2G4A P47712 1/20 0.36
TACR2 P21452 1/20 0.36
TACR1 P25103 1/20 0.36
ALOX5 P09917 1/20 0.36
LTC4S Q16873 1/20 0.36
HDAC3 O15379 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
TP53 P04637 1/20 0.34
MDM2 Q00987 1/20 0.34

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
SCHEMBL9335757 0.85 SRD5A1 (0.75) SRD5A1SRD5A2HDAC3
SCHEMBL9149126 0.83 SRD5A1 (0.62) SRD5A1SRD5A2OXER1CREBBPALOX5AP
SCHEMBL9148425 0.81 SRD5A1 (0.64) SRD5A1SRD5A2OXER1CREBBPALOX5AP
SCHEMBL9152728 0.81 SRD5A1 (0.59) SRD5A1SRD5A2CREBBPALOX5APPTGS2
SCHEMBL9335671 0.81 OXER1 (0.41) SRD5A1SRD5A2OXER1CREBBPALOX5AP
SCHEMBL9153190 0.81 SRD5A1 (0.64) SRD5A1SRD5A2OXER1CREBBPALOX5AP
SCHEMBL9156270 0.80 SRD5A1 (0.63) SRD5A1SRD5A2OXER1CREBBPALOX5AP
SCHEMBL8792770 0.78 SRD5A1 (0.90) SRD5A1SRD5A2CREBBPMAPT
SCHEMBL9334434 0.77 SRD5A1 (0.61) SRD5A1SRD5A2CREBBPPTGS2ALOX5
SCHEMBL9149618 0.76 SRD5A1 (0.55) SRD5A1SRD5A2OXER1CREBBPALOX5AP

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