SCHEMBL9744261

SCHEMBL9744261

CCCCc1ccc(-c2ccc(C#Cc3ccc4cc(OC)ccc4c3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.45
TSHR P16473 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CYP17A1 P05093 1/20 0.44
MCHR1 Q99705 1/20 0.43
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
MAOB P27338 4/20 0.42
EIF4A1 P60842 1/20 0.41
HRH2 P25021 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
LMNA P02545 3/20 0.40
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GAA P10253 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL9742469 0.96 TSHR (0.50) FFAR1TSHRHSD17B10CYP17A1MCHR1
SCHEMBL9742134 0.96 FFAR1 (0.48) FFAR1LMNAMAPTSMN1; SMN2L3MBTL1
SCHEMBL9743224 0.95 TSHR (0.52) FFAR1TSHRHSD17B10CYP17A1MCHR1
SCHEMBL9741999 0.95 TSHR (0.52) FFAR1TSHRHSD17B10CYP17A1MCHR1
SCHEMBL9742386 0.95 TSHR (0.52) FFAR1TSHRHSD17B10CYP17A1MCHR1
SCHEMBL9744090 0.92 FFAR1 (0.47) FFAR1CYP17A1MCHR1MAOBLMNA
SCHEMBL9743698 0.92 FFAR1 (0.47) FFAR1TSHRHSD17B10CASP3SENP8
SCHEMBL9742589 0.90 FFAR1 (0.46) FFAR1TSHRHSD17B10CASP3SENP8
SCHEMBL9743234 0.90 FFAR1 (0.46) FFAR1TSHRHSD17B10CASP3SENP8
SCHEMBL9744328 0.90 FFAR1 (0.46) FFAR1TSHRHSD17B10CASP3SENP8

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-5084204-A Naphthylacetylenes MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-01-28 US disclosed