SCHEMBL2493344

SCHEMBL2493344

O=C(O)COc1cccc(-c2nc3ccccc3o2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.58
KDM4E B2RXH2 5/20 0.58
ALDH1A1 P00352 4/20 0.58
TSHR P16473 4/20 0.58
HPGD P15428 3/20 0.58
USP2 O75604 3/20 0.58
MAPK1 P28482 3/20 0.58
RAB9A P51151 2/20 0.58
NPC1 O15118 1/20 0.58
POLB P06746 1/20 0.58
GAA P10253 1/20 0.58
PPARA Q07869 2/20 0.56
FFAR1 O14842 1/20 0.56
PPARD Q03181 1/20 0.56
FABP4 P15090 1/20 0.56
TP53 P04637 5/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
CYP1A2 P05177 1/20 0.53

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
SCHEMBL4055618 0.86 FFAR1 (0.50) HSD17B10KDM4EALDH1A1TSHRHPGD
SCHEMBL4051457 0.83 VSIR (0.56) HSD17B10KDM4EALDH1A1HPGDPPARA
SCHEMBL4051369 0.82 PPARD (0.47) HSD17B10KDM4EALDH1A1TSHRHPGD
SCHEMBL3589081 0.81 PPARA (0.50) HSD17B10KDM4EALDH1A1TSHRHPGD
SCHEMBL4053094 0.79 FFAR1 (0.51) HSD17B10KDM4EALDH1A1HPGDPPARA
SCHEMBL8066970 0.78 FABP4 (0.79) HSD17B10KDM4EALDH1A1HPGDPPARD
SCHEMBL12322266 0.78 TP53 (0.52) HSD17B10KDM4EALDH1A1TSHRHPGD
SCHEMBL592290 0.77 ALDH1A1 (0.72) HSD17B10KDM4EALDH1A1TSHRHPGD
SCHEMBL3590250 0.77 PPARG (0.56) HSD17B10KDM4EALDH1A1TSHRHPGD
SCHEMBL420401 0.76 ALOX15 (0.68) MAPK1FFAR1PPARDFABP4

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-2380208-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. du Pont de Nemours and Company (US) 2011-10-26 EP disclosed
WO-2010085664-A1 SOLAR CELL MODULES WITH POLY(VINYL BUTYRAL) ENCAPSULANT COMPRISING UNSATURATED HETEROCYCLIC COMPOUND E. I. DU PONT DE NEMOURS AND COMPANY (US) 2010-07-29 WO disclosed