SCHEMBL29696089

SCHEMBL29696089

C=Cc1cc(I)c(O)c(OC)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.59
RPS6KA3 P51812 1/20 0.54
TRPA1 O75762 1/20 0.53
IGF1R P08069 1/20 0.50
MAPT P10636 4/20 0.47
KMT2A Q03164 4/20 0.47
GAA P10253 1/20 0.47
SIRT2 Q8IXJ6 1/20 0.46
SIRT1 Q96EB6 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46
ABL1 P00519 1/20 0.44
BCR P11274 1/20 0.44
CYP3A4 P08684 4/20 0.44
CYP1A2 P05177 3/20 0.44
CYP2C9 P11712 3/20 0.44
KDM4E B2RXH2 3/20 0.44
MEN1 O00255 3/20 0.44
HPGD P15428 3/20 0.44
BLM P54132 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44

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
SCHEMBL22991659 1.00 APP (0.59) APPRPS6KA3TRPA1IGF1RMAPT
SCHEMBL727024 0.86 TRPA1 (0.62) TRPA1MAPTKMT2AGAAABL1
SCHEMBL6443870 0.86 TRPA1 (0.62) TRPA1MAPTKMT2AGAAABL1
SCHEMBL21045991 0.84 TTR (0.50) APPRPS6KA3TRPA1IGF1RMAPT
SCHEMBL26740999 0.83 APP (0.41) APPRPS6KA3TRPA1IGF1RMAPT
SCHEMBL3703392 0.82 TRPA1 (0.63) TRPA1MAPTKMT2AGAAABL1
SCHEMBL29696004 0.81 APP (0.64) APPRPS6KA3IGF1RMAPTKMT2A
SCHEMBL1002420 0.81 APP (0.64) APPRPS6KA3IGF1RMAPTKMT2A
SCHEMBL26617169 0.81 KDM4E (0.49) APPRPS6KA3TRPA1IGF1RMAPT
SCHEMBL18116476 0.79 EGFR (0.58) TRPA1MAPTKMT2AGAAABL1

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
WO-2022138670-A1 COMPOUND, POLYMER, COMPOSITION, FILM-FORMING COMPOSITION, PATTERN FORMATION METHOD, METHOD FOR FORMING INSULATING FILMS, AND COMPOUND PRODUCTION METHOD 三菱瓦斯化学株式会社 2022-06-30 WO disclosed