SCHEMBL2507634

SCHEMBL2507634

CC(C)c1cc(C2CCCCC2)cc(OC(=O)c2ccccc2)c1OC(=O)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.42
CYP1A2 P05177 2/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
KMT2A Q03164 5/20 0.40
ALDH1A1 P00352 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
STAT3 P40763 1/20 0.40
SLC18A3 Q16572 1/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
SLC6A3 Q01959 1/20 0.36
MEN1 O00255 1/20 0.36
JAK2 O60674 1/20 0.36
USP2 O75604 1/20 0.36
ESR1 P03372 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
SCHEMBL2507453 0.99 KMT2A (0.41) KMOCYP1A2LMNACYP2D6SCN1A
SCHEMBL2483345 0.84 KMO (0.45) KMOCYP1A2LMNACYP2D6SCN1A
SCHEMBL2479720 0.83 KMO (0.44) KMOCYP1A2LMNAKMT2AALDH1A1
SCHEMBL2482998 0.83 CYP1A2 (0.41) KMOCYP1A2LMNACYP2D6SCN1A
SCHEMBL2482272 0.83 KMO (0.46) KMOCYP1A2LMNACYP2D6SCN1A
SCHEMBL2484042 0.83 KMO (0.46) KMOCYP1A2LMNACYP2D6SCN1A
SCHEMBL2507641 0.83 KMO (0.46) KMOCYP1A2LMNACYP2D6SCN1A
SCHEMBL2483306 0.83 KMT2A (0.43) KMOCYP1A2LMNACYP2D6KMT2A
SCHEMBL2509821 0.82 KMO (0.43) KMOCYP1A2LMNACYP2D6SCN1A
SCHEMBL2481850 0.82 KMT2A (0.43) KMOCYP1A2LMNAKMT2AALDH1A1

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