SCHEMBL6945824

SCHEMBL6945824

COCCN1C(C)=C(C(=O)O)C(c2cccc(F)c2F)C(C(=O)O)=C1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 1/20 0.44
RECQL P46063 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GPBAR1 Q8TDU6 2/20 0.39
MAPT P10636 2/20 0.39
PYGL P06737 2/20 0.38
PYGM P11217 2/20 0.38
PTGER4 P35408 1/20 0.37
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL6953545 0.91 PYGM (0.49) NR3C2RECQLTDP1KMT2AMEN1
SCHEMBL6950023 0.90 LMNA (0.46) NR3C2RECQLTDP1LMNASMN1; SMN2
SCHEMBL6949624 0.87 KDM4E (0.47) NR3C2RECQLTDP1LMNASMN1; SMN2
SCHEMBL6947856 0.86 RECQL (0.45) NR3C2RECQLTDP1LMNASMN1; SMN2
SCHEMBL6947702 0.81 PYGM (0.53) NR3C2KMT2APYGLPYGM
SCHEMBL6945774 0.81 ALOX15 (0.44) NR3C2RECQLTDP1LMNASMN1; SMN2
SCHEMBL6947692 0.81 KDM4E (0.43) NR3C2RECQLTDP1LMNAKMT2A
SCHEMBL6945485 0.81 NR3C2 (0.51) NR3C2RECQLTDP1LMNASMN1; SMN2
SCHEMBL6949149 0.79 PYGM (0.51) NR3C2PYGLPYGMALDH1A1KDM4E
SCHEMBL6949414 0.78 PYGM (0.49) NR3C2RECQLTDP1KMT2AMEN1

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
EP-0657432-B1 Phenyl-substituted 1,4-dihydropyridines with cerebral activity BAYER AG (DE) 2003-03-12 EP claimed