SCHEMBL12849572

SCHEMBL12849572

C[n+]1cccc(-c2ccc(C(=O)O)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.49
USP2 O75604 1/20 0.49
EGFR P00533 1/20 0.47
RXRA P19793 4/20 0.46
RXRB P28702 4/20 0.46
RXRG P48443 1/20 0.46
BCL2 P10415 1/20 0.46
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46
BCL2L1 Q07817 1/20 0.46
BAD Q92934 1/20 0.46
MAPT P10636 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
CA14 Q9ULX7 1/20 0.44
APOBEC3A P31941 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44

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
SCHEMBL10256554 0.80 SLC22A2 (0.61) NNMTUSP2SMN1; SMN2APOBEC3AAPOBEC3G
Trigonelline SCHEMBL679317 0.79 NNMT (0.68) NNMTUSP2SMN1; SMN2APOBEC3AAPOBEC3G
Trigonelline SCHEMBL29581532 0.79 NNMT (0.68) NNMTUSP2SMN1; SMN2APOBEC3AAPOBEC3G
SCHEMBL4941477 0.79 MEN1 (0.65) EGFRRXRARXRBRXRGBCL2
Hydrochloric Acid SCHEMBL5604568 0.78 SLC22A2 (0.58) NNMTUSP2SMN1; SMN2APOBEC3AAPOBEC3G
Phosphine SCHEMBL28488974 0.78 EGFR (0.69) EGFRMKNK1MKNK2BCL2L1BAD
Phosphine SCHEMBL28495492 0.78 EGFR (0.69) EGFRMKNK1MKNK2BCL2L1BAD
SCHEMBL16711558 0.78 HDAC8 (0.56) NNMTUSP2APOBEC3AAPOBEC3G
Trigonelline SCHEMBL5013564 0.77 NNMT (0.66) NNMTUSP2SMN1; SMN2APOBEC3AAPOBEC3G
Iodide SCHEMBL22204584 0.77 SLC22A2 (0.52) RXRARXRBRXRGBCL2L1BAD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011026797-A1 DYE SENSITISED SOLAR CELL BASF SE (DE) 2011-03-10 WO disclosed