SCHEMBL6868591

SCHEMBL6868591

O=C(O)c1ccc(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c1C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
ANO1 Q5XXA6 7/20 0.43
TSHR P16473 2/20 0.43
TP53 P04637 1/20 0.43
CASP1 P29466 1/20 0.43
NR4A1 P22736 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
SRD5A2 P31213 1/20 0.41
AURKA O14965 1/20 0.40
TPX2 Q9ULW0 1/20 0.40
HSD17B10 Q99714 1/20 0.40
ALOX15 P16050 1/20 0.39
EIF4E P06730 1/20 0.39
AHR P35869 1/20 0.39

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
SCHEMBL10787325 0.84 FOLH1 (0.47) NPC1RAB9ATSHRTP53SRD5A2
SCHEMBL21486 0.84 HNF4A (0.52) ALDH1A1MAPTKDM4EALOX15
SCHEMBL17744783 0.83 ALDH1A1 (0.42) SMN1; SMN2ALDH1A1MAPTKDM4ETP53
SCHEMBL9345442 0.83 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL11430860 0.82 PRKAB2 (0.46) SMN1; SMN2NPC1RAB9AMAPTTSHR
SCHEMBL6884345 0.79 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1KDM4ECA1CA2
SCHEMBL2394811 0.79 AKR1C2 (0.44) SRD5A2
SCHEMBL27024028 0.78 HNF4A (0.48) ALDH1A1MAPTKDM4EHSD17B10ALOX15
SCHEMBL27511967 0.78 AURKA (0.49) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL2791938 0.77 CYP1A2 (0.46) SMN1; SMN2ALDH1A1KDM4ETSHRCA1

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-6720287-B2 WHEN AN AROMATIC DICARBOXYLATE IS ENCAPSULATEDTOGETHER WITH THE DIAZONIUM SALT COMPOUND, GENERATION OF PHOTODECOMPOSITION STAIN IS REDUCED AND SHELF LIFE IS IMPROVED FUJI PHOTO FILM CO., LTD. (JP) 2004-04-13 US disclosed
US-20030045426-A1 Heat sensitive recording material and microcapsule solution FUJI PHOTO FILM CO., LTD. 2003-03-06 US disclosed
US-4628336-A POLYPHENYL ESTERS; SOIL RESISTANCE; IMAGE STABILITY JUJO PAPER CO., LTD. (JP) 1986-12-09 US disclosed