SCHEMBL11437178

SCHEMBL11437178

CC(=CC#N)CCc1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 4/20 0.44
▸ TDP1 Q9NUW8 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ GABRA1 P14867 1/20 0.39
▸ GABRG2 P18507 1/20 0.39
▸ GABRB3 P28472 1/20 0.39
▸ GABRB2 P47870 1/20 0.39
▸ SLC5A1 P13866 1/20 0.38
▸ SLC5A2 P31639 1/20 0.38
▸ IGF1R P08069 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ PLAAT3 P53816 1/20 0.36
▸ PLAAT5 Q96KN8 1/20 0.36
▸ PLAAT2 Q9NWW9 1/20 0.36
▸ PLAAT4 Q9UL19 1/20 0.36
▸ CHKA P35790 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34

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
SCHEMBL11444193 1.00 FFAR1 (0.44) FFAR1TDP1L3MBTL1CYP1A2CYP2A6
SCHEMBL11451067 1.00 FFAR1 (0.44) FFAR1TDP1L3MBTL1CYP1A2CYP2A6
SCHEMBL11438200 0.86 CYP2A6 (0.42) FFAR1L3MBTL1CYP1A2CYP2A6TAAR1
SCHEMBL11444236 0.86 LPL (0.40) L3MBTL1ALDH1A1GPR84
SCHEMBL11444196 0.86 CYP2A6 (0.42) FFAR1L3MBTL1CYP1A2CYP2A6TAAR1
SCHEMBL11451056 0.86 LPL (0.40) L3MBTL1ALDH1A1GPR84
SCHEMBL11438178 0.86 LPL (0.40) L3MBTL1ALDH1A1GPR84
SCHEMBL11442008 0.86 CYP2A6 (0.42) FFAR1L3MBTL1CYP1A2CYP2A6TAAR1
SCHEMBL111450 0.84 ALDH1A1 (0.50) FFAR1TDP1L3MBTL1ALDH1A1
SCHEMBL111451 0.84 ALDH1A1 (0.50) FFAR1TDP1L3MBTL1ALDH1A1

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-4193934-A PERFUMES HAARMANN & REIMER GMBH (DE) 1980-03-18 — — US disclosed
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