SCHEMBL2484587

SCHEMBL2484587

CCCc1cc(C2CCCC2)cc(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.40
KMT2A Q03164 2/20 0.40
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
STAT3 P40763 1/20 0.40
KMO O15229 1/20 0.39
PPARG P37231 5/20 0.38
PPARA Q07869 5/20 0.38
LMNA P02545 3/20 0.37
MAPT P10636 2/20 0.37
POLB P06746 1/20 0.37
GAA P10253 1/20 0.37
CSF1R P07333 1/20 0.37
SLC18A3 Q16572 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP2D6 P10635 1/20 0.36
SCN1A P35498 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
SCHEMBL2479300 0.99 EPHX2 (0.42) EPHX2KMT2ACYP1A2ALDH1A1CYP2C9
SCHEMBL2499379 0.93 CNR1 (0.42) KMT2ACYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL2510195 0.92 CNR1 (0.43) EPHX2KMT2ACYP1A2ALDH1A1CYP2C9
SCHEMBL2507825 0.92 KMT2A (0.42) KMT2ACYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL2509821 0.91 KMO (0.43) KMT2ACYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL2481198 0.85 CYP1A2 (0.40) KMT2ACYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL2482998 0.84 CYP1A2 (0.41) KMT2ACYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL2483306 0.82 KMT2A (0.43) KMT2ACYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL2482062 0.81 PPARG (0.40) KMT2ACYP1A2ALDH1A1CYP2C9CYP2C19
SCHEMBL2483345 0.81 KMO (0.45) KMT2ACYP1A2ALDH1A1CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604235-B2 Production of substituted phenylene aromatic diesters and compositions DOW GLOBAL TECHNOLOGIES LLC (US) 2013-12-10 US disclosed
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