SCHEMBL9335705

SCHEMBL9335705

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

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B3 P37058 7/20 0.63
THRA P10827 6/20 0.56
THRB P10828 6/20 0.56
S1PR5 Q9H228 1/20 0.52
HTR7 P34969 1/20 0.51
STS P08842 4/20 0.51
S1PR2 O95136 1/20 0.51
S1PR1 P21453 1/20 0.51
S1PR3 Q99500 1/20 0.51
LPAR2 Q9HBW0 1/20 0.51

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
SCHEMBL9335675 1.00 HSD17B3 (0.63) HSD17B3THRATHRBS1PR5HTR7
SCHEMBL8114139 0.98 HSD17B3 (0.62) HSD17B3THRATHRBS1PR5HTR7
SCHEMBL8959879 0.93 HSD17B3 (0.61) HSD17B3THRATHRBHTR7STS
SCHEMBL28655370 0.88 HSD17B3 (0.59) HSD17B3THRATHRBS1PR5STS
SCHEMBL8083048 0.86 HSD17B3 (0.58) HSD17B3THRATHRBHTR7STS
SCHEMBL13191872 0.84 HSD17B3 (0.59) HSD17B3THRATHRBS1PR5STS
SCHEMBL13191870 0.84 HSD17B3 (0.59) HSD17B3THRATHRBS1PR5STS
SCHEMBL13191876 0.84 HSD17B3 (0.59) HSD17B3THRATHRBS1PR5STS
SCHEMBL13191875 0.84 HSD17B3 (0.59) HSD17B3THRATHRBS1PR5STS
SCHEMBL13191869 0.84 HSD17B3 (0.59) HSD17B3THRATHRBS1PR5STS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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