SCHEMBL29634941

SCHEMBL29634941

CCCCCCCCOC(=O)CCc1cc(-c2ccccc2)c(O)c(C(C)(C)C)c1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.44
CNR2 P34972 5/20 0.44
TDP1 Q9NUW8 1/20 0.42
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41
P2RY10 O00398 1/20 0.40
CNR1 P21554 1/20 0.40
SOAT1 P35610 2/20 0.39
APP P05067 1/20 0.39
EGFR P00533 4/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL28549782 1.00 ALOX5 (0.44) ALOX5CNR2TDP1GAAKMT2A
SCHEMBL29928933 0.90 EPHX2 (0.41) CNR2GAAKMT2AP2RY10CNR1
Benzotriazole SCHEMBL28495929 0.89 ALDH1A1 (0.42) ALOX5CNR2TDP1GAAKMT2A
Phenol SCHEMBL7771414 0.88 CNR2 (0.48) ALOX5CNR2TDP1GAAKMT2A
Phenol SCHEMBL28387100 0.88 CNR2 (0.48) ALOX5CNR2TDP1GAAKMT2A
Phenol SCHEMBL11148764 0.88 CNR2 (0.48) ALOX5CNR2TDP1GAAKMT2A
Bicarbonate SCHEMBL28949824 0.87 GAA (0.51) ALOX5CNR2GAAKMT2ACNR1
SCHEMBL754404 0.87 GAA (0.53) CNR2GAAKMT2ACNR1
SCHEMBL283853 0.87 GAA (0.53) CNR2GAAKMT2ACNR1
SCHEMBL17491243 0.87 GAA (0.53) CNR2GAAKMT2ACNR1

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-114517098-A Polymerizable liquid crystal material and polymerized liquid crystal film 默克专利股份有限公司 2022-05-20 CN disclosed