SCHEMBL9744328

SCHEMBL9744328

CCCCCCCCc1ccc(C#Cc2ccc3cc(OC)ccc3c2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
HSD17B10 Q99714 2/20 0.46
TSHR P16473 1/20 0.46
HTR2A P28223 2/20 0.45
PLK1 P53350 1/20 0.45
PLK3 Q9H4B4 1/20 0.45
THRB P10828 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.44
CYP3A4 P08684 2/20 0.44
THRA P10827 1/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SLCO1B3 Q9NPD5 1/20 0.44
SLCO1B1 Q9Y6L6 1/20 0.44
PPARG P37231 1/20 0.43

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
SCHEMBL9743234 1.00 FFAR1 (0.46) FFAR1HSD17B10TSHRHTR2APLK1
SCHEMBL9742589 1.00 FFAR1 (0.46) FFAR1HSD17B10TSHRHTR2APLK1
SCHEMBL9743698 0.99 FFAR1 (0.47) FFAR1HSD17B10TSHRHTR2APLK1
SCHEMBL9741999 0.96 TSHR (0.52) FFAR1HSD17B10TSHRHTR2APLK1
SCHEMBL9742386 0.96 TSHR (0.52) FFAR1HSD17B10TSHRHTR2APLK1
SCHEMBL9743224 0.96 TSHR (0.52) FFAR1HSD17B10TSHRHTR2APLK1
SCHEMBL9742469 0.95 TSHR (0.50) FFAR1HSD17B10TSHRHTR2APLK1
SCHEMBL9742134 0.94 FFAR1 (0.48) FFAR1ALDH1A1LMNACYP3A4MEN1
SCHEMBL9742267 0.92 PPARG (0.46) HSD17B10TSHRHTR2ATHRBALDH1A1
SCHEMBL9742176 0.92 PPARG (0.46) HSD17B10TSHRHTR2ATHRBALDH1A1

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