SCHEMBL11664281

SCHEMBL11664281

CCCCCCc1ccc(-c2ccc(CCCCCC)cc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.71
TSHR P16473 1/20 0.71
RARB P10826 8/20 0.69
ALDH1A1 P00352 3/20 0.69
MEN1 O00255 2/20 0.69
MAPT P10636 2/20 0.69
KMT2A Q03164 2/20 0.69
RARA P10276 2/20 0.69
MTOR P42345 1/20 0.69
ESR1 P03372 2/20 0.68
ADRA2A P08913 2/20 0.68
ADORA3 P0DMS8 2/20 0.68
TACR2 P21452 2/20 0.68
SLC6A2 P23975 2/20 0.68
SLC6A4 P31645 2/20 0.68
SLC6A3 Q01959 2/20 0.68
KDM4E B2RXH2 2/20 0.68
LMNA P02545 1/20 0.68
SHBG P04278 1/20 0.68
TP53 P04637 1/20 0.68

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
SCHEMBL11657350 1.00 HSD17B10 (0.71) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL11660215 1.00 HSD17B10 (0.71) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL11661972 1.00 HSD17B10 (0.71) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL31549867 0.97 RARB (0.68) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL10379965 0.97 RARB (0.68) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL10379606 0.95 HSD17B10 (0.67) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL11561824 0.93 RARB (0.63) HSD17B10TSHRRARBALDH1A1MEN1
SCHEMBL23849704 0.92 ESR1 (0.77) HSD17B10TSHRALDH1A1ESR1ADRA2A
SCHEMBL6681490 0.92 ESR1 (0.77) HSD17B10TSHRALDH1A1ESR1ADRA2A
SCHEMBL4037557 0.92 ESR1 (0.77) HSD17B10TSHRALDH1A1ESR1ADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4118335-A BIPHENYL DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-10-03 US disclosed