SCHEMBL11438178

SCHEMBL11438178

CCCc1ccc(CC/C(C)=C/C#N)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LPL P06858 2/20 0.40
▸ LIPG Q9Y5X9 2/20 0.40
▸ THRB P10828 2/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ MGLL Q99685 1/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ CNR1 P21554 1/20 0.35
▸ CNR2 P34972 1/20 0.35
▸ ALDH1A1 P00352 3/20 0.35
▸ MAPT P10636 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ CA2 P00918 1/20 0.34
▸ GPR84 Q9NQS5 1/20 0.34
▸ ESR1 P03372 1/20 0.34
▸ ESR2 Q92731 1/20 0.34
▸ ACACB O00763 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 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
SCHEMBL11444236 1.00 LPL (0.40) LPLLIPGTHRBL3MBTL1MGLL
SCHEMBL11451056 1.00 LPL (0.40) LPLLIPGTHRBL3MBTL1MGLL
SCHEMBL11444196 0.89 CYP2A6 (0.42) LPLLIPGL3MBTL1ALDH1A1MAPT
SCHEMBL11442008 0.89 CYP2A6 (0.42) LPLLIPGL3MBTL1ALDH1A1MAPT
SCHEMBL11438200 0.89 CYP2A6 (0.42) LPLLIPGL3MBTL1ALDH1A1MAPT
SCHEMBL11437178 0.86 FFAR1 (0.44) L3MBTL1ALDH1A1GPR84
SCHEMBL11444193 0.86 FFAR1 (0.44) L3MBTL1ALDH1A1GPR84
SCHEMBL11451067 0.86 FFAR1 (0.44) L3MBTL1ALDH1A1GPR84
SCHEMBL17629448 0.84 ALDH1A1 (0.50) L3MBTL1ALDH1A1KMT2AKDM4E
SCHEMBL111450 0.84 ALDH1A1 (0.50) L3MBTL1ALDH1A1KMT2AKDM4E

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
Send feedback