SCHEMBL8445589

SCHEMBL8445589

Nc1ccc(OOC(=O)c2cccc(C(=O)O)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
KMO O15229 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA6 P23280 1/20 0.41
CA9 Q16790 1/20 0.41
LMNA P02545 2/20 0.40
GAA P10253 1/20 0.40
F2 P00734 1/20 0.40
ANPEP P15144 1/20 0.40
ENPEP Q07075 1/20 0.40
MRGPRX4 Q96LA9 2/20 0.39
KMT2A Q03164 1/20 0.39
NR4A2 P43354 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL8445586 0.94 PARP10 (0.42) LMNAGAAF2KMT2A
SCHEMBL27769736 0.87 PARP10 (0.51) AKR1C3LMNAGAAF2KMT2A
SCHEMBL29221160 0.85 F2 (0.57) LMNAF2KMT2ACYP1A2HSD17B10
SCHEMBL8445592 0.80 KMT2A (0.54) LMNAF2KMT2AHSD17B10
SCHEMBL28453196 0.79 F2 (0.53) LMNAGAAF2KMT2ACYP1A2
SCHEMBL11513731 0.79 F2 (0.62) AKR1C3KMOCA12CA1CA2
SCHEMBL8848151 0.78 LMNA (0.56) AKR1C3KMOCA12CA1CA2
SCHEMBL28051725 0.76 F2 (0.59) CA1CA2LMNAF2KMT2A
SCHEMBL27791106 0.76 AKR1C3 (0.49) AKR1C3LMNAGAAKMT2ANR4A2
Benzidine SCHEMBL9494703 0.76 KMO (0.59) KMOCA12CA1CA2CA6

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
EP-0948570-A1 METHOD FOR PREPARING LIGHT-ABSORBING POLYMERIC COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 1999-10-13 EP disclosed
WO-1998023690-A9 METHOD FOR PREPARING LIGHT-ABSORBING POLYMERIC COMPOSITIONS 1998-09-17 WO disclosed
WO-1998023690-A1 METHOD FOR PREPARING LIGHT-ABSORBING POLYMERIC COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 1998-06-04 WO disclosed