SCHEMBL29115779

SCHEMBL29115779

COC(=O)C(C#N)=C(c1ccccc1)c1cc(C(C)C)c(O)c(C(C)C)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.52
GABRB1 P18505 1/20 0.52
LMNA P02545 4/20 0.48
GAA P10253 3/20 0.48
HTT P42858 2/20 0.48
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 3/20 0.44
BCL2 P10415 3/20 0.43
MCL1 Q07820 2/20 0.43
MAPT P10636 3/20 0.42
KDR P35968 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
XBP1 P17861 2/20 0.39
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
EGFR P00533 1/20 0.38
KMT2A Q03164 2/20 0.37
ESRRB O95718 1/20 0.36

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
SCHEMBL29115883 0.87 GABRA1 (0.57) GABRA1GABRB1LMNAGAAHTT
SCHEMBL29115673 0.87 GABRA1 (0.49) GABRA1GABRB1LMNAGAAHTT
SCHEMBL548361 0.84 ALDH1A1 (0.52) LMNAGAAALDH1A1MAPK1MAPT
SCHEMBL29115749 0.80 PTGS2 (0.44) LMNAGAAHTTALDH1A1MAPK1
SCHEMBL8536579 0.78 GABRA1 (0.41) GABRA1GABRB1LMNAGAAHTT
SCHEMBL12311740 0.76 CES2 (0.54) LMNAGAAHTTALDH1A1MAPK1
SCHEMBL2002642 0.76 CES2 (0.54) LMNAGAAHTTALDH1A1MAPK1
SCHEMBL15163694 0.74 LMNA (0.48) LMNAGAAALDH1A1MAPK1MAPT
SCHEMBL15163695 0.74 LMNA (0.48) LMNAGAAALDH1A1MAPK1MAPT
SCHEMBL9068628 0.74 ALDH1A1 (0.52) LMNAGAAHTTALDH1A1MAPK1

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
CN-117069612-A Novel method for synthesizing cyanoacrylate 上海应用技术大学 2023-11-17 CN disclosed