SCHEMBL29115778

SCHEMBL29115778

COC(=O)C(C#N)=C(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.41
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CASP3 P42574 2/20 0.38
SENP7 Q9BQF6 2/20 0.38
TNFRSF1A P19438 1/20 0.38
PTGS2 P35354 3/20 0.37
ALOX5 P09917 1/20 0.37
PTGS1 P23219 1/20 0.37
DHODH Q02127 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
RARB P10826 2/20 0.36
RARG P13631 2/20 0.36
RARA P10276 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
SCHEMBL29115773 0.90 SYK (0.38) SYKRAB9ANPC1MEN1KMT2A
SCHEMBL29115749 0.88 PTGS2 (0.44) SYKRAB9ANPC1MEN1KMT2A
SCHEMBL29115857 0.88 PTGS2 (0.39) SYKRAB9ANPC1MEN1KMT2A
SCHEMBL29115882 0.85 PTGS2 (0.39) RAB9ANPC1MEN1KMT2ATNFRSF1A
SCHEMBL29115855 0.84 IDO1 (0.38) RAB9ANPC1MEN1KMT2ATNFRSF1A
SCHEMBL12433229 0.81 NPC1 (0.54) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL1175407 0.81 NPC1 (0.54) RAB9ANPC1MEN1KMT2ACASP3
SCHEMBL29115781 0.78 PTGS2 (0.44) RAB9ANPC1MEN1KMT2ATNFRSF1A
SCHEMBL29115791 0.76 ALDH1A1 (0.49) RAB9ANPC1TNFRSF1APTGS2ALOX5
SCHEMBL29115694 0.76 ALDH1A1 (0.40) MEN1KMT2ATNFRSF1APTGS2CES2

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