SCHEMBL2507534

SCHEMBL2507534

Cc1cc(C2CCCC2)c(C2CCCC2)c(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.38
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
STAT3 P40763 1/20 0.38
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
NPBWR1 P48145 1/20 0.38
MEN1 O00255 2/20 0.37
KMO O15229 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.36
LMNA P02545 2/20 0.36
CYP2D6 P10635 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36
SCN3A Q9NY46 1/20 0.36
ATM Q13315 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
SCHEMBL2508456 0.99 KMO (0.39) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2511736 0.99 KMO (0.39) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2495971 0.99 KMO (0.39) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2513417 0.90 KMT2A (0.40) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2508226 0.88 KMT2A (0.39) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL2500329 0.88 KMO (0.40) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL25429111 0.87 KMO (0.40) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL29771760 0.87 KMO (0.40) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL30035926 0.87 KMO (0.40) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL27182061 0.87 KMO (0.40) KMT2AALDH1A1CYP1A2CYP2C9CYP2C19

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
EP-2376423-A1 PRODUCTION OF SUBSTITUTED PHENYLENE AROMATIC DIESTERS Dow Global Technologies LLC (US) 2011-10-19 EP disclosed
WO-2010078519-A1 PRODUCTION OF SUBSTITUTED PHENYLENE AROMATIC DIESTERS DOW GLOBAL TECHNOLOGIES INC. (US) 2010-07-08 WO disclosed