SCHEMBL9742134

SCHEMBL9742134

CCCCc1ccc(C#Cc2ccc3cc(OC)ccc3c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.48
LMNA P02545 3/20 0.43
MAPT P10636 3/20 0.43
GAA P10253 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
ALOX12 P18054 1/20 0.43
MAPK1 P28482 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CYP1A2 P05177 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
TP53 P04637 1/20 0.42
CYP3A4 P08684 1/20 0.42
MAOA P21397 1/20 0.42
SLC6A2 P23975 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL9744261 0.96 FFAR1 (0.45) FFAR1LMNAMAPTGAASMN1; SMN2
SCHEMBL9743698 0.96 FFAR1 (0.47) FFAR1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL9742589 0.94 FFAR1 (0.46) FFAR1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL9744328 0.94 FFAR1 (0.46) FFAR1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL9743234 0.94 FFAR1 (0.46) FFAR1LMNASMN1; SMN2ALDH1A1MEN1
SCHEMBL9742469 0.92 TSHR (0.50) FFAR1MAPTL3MBTL1RAB9APTGS2
SCHEMBL9743912 0.91 ASIC3 (0.44) FFAR1LMNAMAPTGAASMN1; SMN2
SCHEMBL9742346 0.91 FFAR1 (0.50) FFAR1LMNAMAPTSMN1; SMN2CYP1A2
SCHEMBL9743224 0.91 TSHR (0.52) FFAR1LMNAMAPTSMN1; SMN2ALDH1A1
SCHEMBL9742386 0.91 TSHR (0.52) FFAR1LMNAMAPTSMN1; SMN2ALDH1A1

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