SCHEMBL11040996

SCHEMBL11040996

CCOc1ccc(-c2ccc(C(=O)O)nc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.60
BCL2 P10415 2/20 0.51
MDM2 Q00987 2/20 0.51
MCL1 Q07820 2/20 0.51
ALPL P05186 1/20 0.50
PLA2G4B P0C869 1/20 0.47
ACACB O00763 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 1/20 0.46

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
SCHEMBL23576323 0.87 ACACB (0.50) P4HTMALPLACACBKDM4EALDH1A1
SCHEMBL1403507 0.86 P4HTM (0.63) P4HTMBCL2MDM2MCL1PLA2G4B
SCHEMBL9733601 0.84 RARB (0.68) PLA2G4BKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL13731115 0.80 P4HTM (0.64) P4HTMKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL9613265 0.80 ALDH1A1 (0.57) P4HTMALPLRXRARXRBKDM4E
SCHEMBL2633139 0.78 EGLN1 (0.62) P4HTMMCL1KDM4EALDH1A1LMNA
SCHEMBL202683 0.78 PLA2G4B (0.74) PLA2G4BRXRARXRBTSHRNPC1
SCHEMBL12254177 0.77 HIF1A (0.62) P4HTMMCL1KDM4EALDH1A1LMNA
SCHEMBL71034 0.77 HIF1A (0.55) P4HTMKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL29929320 0.77 HIF1A (0.55) P4HTMKDM4EALDH1A1LMNAL3MBTL1

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-1984004302-A1 SUBSTITUTED PICOLINIC ACIDS, PROCESSES FOR THEIR PREPARATION, THEIR USE AND MEDICAMENTS CONTAINING THEM BYK GULDEN LOMBERG CHEM FAB (DE) 1984-11-08 WO disclosed