SCHEMBL29316162

SCHEMBL29316162

C=C(C)C(=O)OCCNC(=O)c1ccc(-c2ccc(C#N)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.52
CD274 Q9NZQ7 1/20 0.49
MMP3 P08254 1/20 0.46
PPARA Q07869 1/20 0.46
RAB9A P51151 1/20 0.46
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SIGMAR1 Q99720 2/20 0.45
TMEM97 Q5BJF2 1/20 0.45
EGLN2 Q96KS0 1/20 0.44
EGLN1 Q9GZT9 3/20 0.44
EPHX2 P34913 2/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
CHRM4 P08173 1/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
NOS2 P35228 1/20 0.42
NPC1 O15118 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL29322071 0.93 ALDH1A1 (0.48) TRPA1CD274MMP3PPARARAB9A
SCHEMBL29316165 0.92 POLB (0.47) TRPA1CD274PPARARAB9AMEN1
SCHEMBL29322089 0.91 POLB (0.49) TRPA1CD274PPARARAB9AMEN1
SCHEMBL29316172 0.91 POLB (0.49) TRPA1CD274PPARARAB9AMEN1
SCHEMBL14368851 0.85 NPC1 (0.55) RAB9AMEN1KMT2AALDH1A1NPC1
SCHEMBL29316157 0.82 TDP1 (0.51) MMP3KMT2AALDH1A1MAPTPOLB
SCHEMBL29316114 0.81 CD274 (0.50) TRPA1CD274MMP3PPARARAB9A
SCHEMBL29322010 0.80 TDP1 (0.49) MMP3KMT2AALDH1A1MAPTPOLB
SCHEMBL29316160 0.80 TDP1 (0.52) MMP3RAB9AKMT2AALDH1A1MAPT
SCHEMBL21246818 0.79 NPC1 (0.56) RAB9AMEN1KMT2AALDH1A1MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed
US-20240239934-A1 FUMARIC ACID DIESTER RESIN, FILM AND POLARIZING PLATE TOSOH CORPORATION (JP) 2024-07-18 US disclosed