SCHEMBL8959879

SCHEMBL8959879

CCCCC(=O)c1ccc(CC(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.61
HTR7 P34969 1/20 0.59
THRA P10827 6/20 0.51
THRB P10828 6/20 0.51
STS P08842 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.47

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
SCHEMBL8114139 0.95 HSD17B3 (0.62) HSD17B3HTR7THRATHRBSTS
SCHEMBL9335675 0.93 HSD17B3 (0.63) HSD17B3HTR7THRATHRBSTS
SCHEMBL9335705 0.93 HSD17B3 (0.63) HSD17B3HTR7THRATHRBSTS
SCHEMBL8083048 0.89 HSD17B3 (0.58) HSD17B3HTR7THRATHRBSTS
SCHEMBL30089557 0.87 PTGS1 (0.53) L3MBTL1
SCHEMBL28704369 0.85 HTR7 (0.62) HSD17B3HTR7THRATHRBSTS
SCHEMBL14522305 0.83 HSD17B3 (0.83) HSD17B3HTR7THRATHRBSTS
SCHEMBL14297902 0.82 BLM (0.55) L3MBTL1
SCHEMBL9441163 0.82 TRPA1 (0.53)
SCHEMBL8123386 0.82 HSD17B3 (0.69) HSD17B3HTR7THRATHRBSTS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5530019-A FOR TREATMENT OF PROSTATE GLAND DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-25 US disclosed
EP-0648208-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-04-19 EP disclosed
WO-1994022821-A1 INDOLE DERIVATIVES AS TESTOSTERONE 5 ALPHA-REDUCTASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-13 WO disclosed
EP-0603278-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-06-29 EP disclosed
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
WO-1993005019-A1 INDOLE DERIVATIVES AS 5-ALPHA-REDUCTASE INHIBITOR FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-03-18 WO disclosed