SCHEMBL22197873

SCHEMBL22197873

C=CCc1cc(C(C)(C)c2ccc(OC(C)=O)c(CC=C)c2)ccc1C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.52
ELANE P08246 1/20 0.47
PTGS1 P23219 1/20 0.46
SRD5A1 P18405 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
KMT2A Q03164 2/20 0.38
MAPT P10636 3/20 0.37
PTGDR Q13258 1/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
MAPK1 P28482 1/20 0.37
KLF10 Q13118 1/20 0.36
ACHE P22303 1/20 0.36
THRB P10828 1/20 0.35
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
GAA P10253 1/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL12674534 0.94 ALOX5 (0.57) ALOX5ELANEPTGS1SRD5A1AKR1C3
SCHEMBL29710717 0.94 ALOX5 (0.57) ALOX5ELANEPTGS1SRD5A1AKR1C3
SCHEMBL26119063 0.90 ALOX5 (0.52) ALOX5ELANEPTGS1SRD5A1AKR1C3
SCHEMBL804638 0.89 ALOX5 (0.59) ALOX5ELANEPTGS1SRD5A1AKR1C3
SCHEMBL22421389 0.86 ALOX5 (0.51) ALOX5ELANEPTGS1SRD5A1AKR1C3
SCHEMBL14048479 0.85 ALOX5 (0.50) ALOX5ELANEPTGS1SRD5A1AKR1C3
SCHEMBL15500145 0.84 ELANE (0.44) ALOX5ELANEPTGS1KMT2AMAPT
SCHEMBL13864923 0.84 ELANE (0.45) ALOX5ELANEPTGS1KMT2AMAPT
SCHEMBL9186206 0.83 ELANE (0.47) ALOX5ELANEPTGS1KMT2AMAPT
SCHEMBL12580079 0.83 GABRA1 (0.47) ALOX5PTGS1MAPTKLF10ALDH1A1

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
EP-3492444-B1 METHODS OF MAKING STABLE AND THERMALLY POLYMERIZABLE VINYL, AMINO OR OLIGOMERIC PHENOXY BENZOCYCLOBUTENE MONOMERS WITH IMPROVED CURING KINETICS ROHM & HAAS ELECT MAT (US) 2020-07-08 EP disclosed