SCHEMBL2506366

SCHEMBL2506366

Cc1cc(OC(=O)c2ccccc2)c(OC(=O)c2ccccc2)c(C2CCCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.44
KMT2A Q03164 6/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
STAT3 P40763 1/20 0.43
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MEN1 O00255 3/20 0.40
SLC6A3 Q01959 1/20 0.40
MDM2 Q00987 1/20 0.39
ATM Q13315 1/20 0.39
CYP3A4 P08684 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KMO O15229 1/20 0.37

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
SCHEMBL2484864 0.99 PTGDR2 (0.46) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL2506534 0.86 KMT2A (0.43) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL2484027 0.86 KMT2A (0.44) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL2484451 0.85 KMT2A (0.43) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL2484042 0.85 KMO (0.46) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL2507641 0.85 KMO (0.46) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL2482272 0.85 KMO (0.46) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL2510955 0.84 KMT2A (0.41) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL2509949 0.84 MAPT (0.46) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9
SCHEMBL2484610 0.84 KMT2A (0.43) PTGDR2KMT2AALDH1A1CYP1A2CYP2C9

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