SCHEMBL9335757

SCHEMBL9335757

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

nearest known ligand 0.75

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SRD5A1 P18405 5/20 0.75
SRD5A2 P31213 5/20 0.75
HDAC3 O15379 3/20 0.48
TERT O14746 4/20 0.40
MCL1 Q07820 2/20 0.39
CDC25A P30304 1/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HTR6 P50406 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38

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
SCHEMBL9334434 0.90 SRD5A1 (0.61) SRD5A1SRD5A2HDAC3HDAC1HDAC8
SCHEMBL29633452 0.86 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL3504489 0.86 SRD5A1 (1.00) SRD5A1SRD5A2
SCHEMBL9335665 0.85 SRD5A1 (0.59) SRD5A1SRD5A2HDAC3
Hydrochloric Acid SCHEMBL8793978 0.85 SRD5A1 (0.98) SRD5A1SRD5A2
SCHEMBL9386762 0.84 SRD5A1 (0.91) SRD5A1SRD5A2
SCHEMBL8793523 0.83 SRD5A1 (0.95) SRD5A1SRD5A2
SCHEMBL8792770 0.82 SRD5A1 (0.90) SRD5A1SRD5A2
N-Phenylbenzamide SCHEMBL6762152 0.82 SRD5A1 (0.91) SRD5A1SRD5A2PTGDR2
SCHEMBL9335764 0.81 SRD5A1 (0.52) SRD5A1SRD5A2HDAC3TERTMCL1

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