SCHEMBL7047489

SCHEMBL7047489

O=C(O)c1cc(C(=O)Cl)c(C(=O)O)cc1C(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
ALOX15 P16050 2/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 5/20 0.41
TP53 P04637 1/20 0.41
CASP1 P29466 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DAO P14920 1/20 0.41
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
AKR1C4 P17516 1/20 0.39
AKR1C3 P42330 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
CYP3A4 P08684 1/20 0.38
POLB P06746 1/20 0.38
CA12 O43570 2/20 0.37
CA7 P43166 2/20 0.37
CA9 Q16790 2/20 0.37
CA14 Q9ULX7 2/20 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
SCHEMBL895353 1.00 ALDH1A1 (0.41) ALDH1A1ALOX15CYP1A2TSHRTP53
SCHEMBL11704719 1.00 ALDH1A1 (0.41) ALDH1A1ALOX15CYP1A2TSHRTP53
SCHEMBL11316478 1.00 ALDH1A1 (0.41) ALDH1A1ALOX15CYP1A2TSHRTP53
SCHEMBL11703883 1.00 ALDH1A1 (0.41) ALDH1A1ALOX15CYP1A2TSHRTP53
SCHEMBL338945 0.87 ALDH1A1 (0.43) ALDH1A1ALOX15TSHRTP53CASP1
Pyromellitic Acid SCHEMBL22443 0.84 ALDH1A1 (0.53) ALDH1A1ALOX15CYP1A2TSHRTP53
Pyromellitic Acid SCHEMBL22127 0.84 ALDH1A1 (0.53) ALDH1A1ALOX15CYP1A2TSHRTP53
Pyromellitic Acid SCHEMBL9485109 0.81 ALDH1A1 (0.50) ALDH1A1ALOX15CYP1A2TSHRTP53
Pyromellitic Acid SCHEMBL11316481 0.81 ALDH1A1 (0.50) ALDH1A1ALOX15CYP1A2TSHRTP53
Pyromellitic Acid SCHEMBL692530 0.81 ALDH1A1 (0.50) ALDH1A1ALOX15CYP1A2TSHRTP53

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
WO-2003022955-A1 ORGANIC ELECTROLUMINESCENT DEVICE HAVING A POLYIMIDE HOLE TRANSPORT LAYER NESSDISPLAY CO., LTD. (KR) 2003-03-20 WO claimed
WO-2003022955-A1 ORGANIC ELECTROLUMINESCENT DEVICE HAVING A POLYIMIDE HOLE TRANSPORT LAYER NESSDISPLAY CO., LTD. (KR) 2003-03-20 WO disclosed
US-4059565-A Process for producing a branched polycarbonate or poly(ester-carbonate) MITSUBISHI GAS CHEMICAL COMPANY, INC. (JA) 1977-11-22 US disclosed