SCHEMBL8960674

SCHEMBL8960674

Cc1cc(-c2ccc(C(=O)O)cc2)ccc1C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRB P28702 9/20 0.62
RXRA P19793 9/20 0.60
RARB P10826 1/20 0.58
MCL1 Q07820 2/20 0.53
RXRG P48443 2/20 0.50
BCL2L1 Q07817 1/20 0.50
BAD Q92934 1/20 0.50
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
BCL2 P10415 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL1498034 0.92 RXRB (0.70) RXRBRXRARARBMCL1KDM4E
SCHEMBL29771992 0.92 RXRB (0.70) RXRBRXRARARBMCL1KDM4E
SCHEMBL17208853 0.90 RXRB (0.60) RXRBRXRARARBMCL1ALDH1A1
Hydrochloric Acid SCHEMBL4365452 0.90 RXRB (0.68) RXRBRXRARARBMCL1KDM4E
Hydrochloric Acid SCHEMBL9150803 0.90 RXRB (0.68) RXRBRXRARARBMCL1KDM4E
SCHEMBL7754859 0.89 RXRB (0.56) RXRBRXRARARBRXRGBCL2L1
SCHEMBL122517 0.88 ACMSD (0.63) RXRBRXRARARBMCL1SMN1; SMN2
SCHEMBL29926573 0.88 ACMSD (0.63) RXRBRXRARARBMCL1SMN1; SMN2
SCHEMBL13522888 0.88 ACMSD (0.63) RXRBRXRARARBMCL1SMN1; SMN2
SCHEMBL8840571 0.88 MCL1 (0.65) RXRBRXRARARBMCL1ALDH1A1

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-0539243-B1 Process for introducing a carboxyl group to an aromatic carboxylic acid or a derivative thereof HIRAI HIDEFUMI (JP) 1996-01-24 EP disclosed
US-5319134-A Process for introducing a carboxyl group to an aromatic carboxylic acid or a derivative thereof HIDEFUMI HIRAI (JP) 1994-06-07 US disclosed
EP-0539243-A2 Process for introducing a carboxyl group to an aromatic carboxylic acid or a derivative thereof Hirai, Hidefumi (JP) 1993-04-28 EP disclosed