SCHEMBL6945485

SCHEMBL6945485

COCCN1C(C)=C(C(=O)O)C(c2cc(F)ccc2F)C(C(=O)O)=C1C

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR3C2 P08235 2/20 0.51
RECQL P46063 2/20 0.45
TDP1 Q9NUW8 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ATM Q13315 1/20 0.44
GPBAR1 Q8TDU6 3/20 0.40
LMNA P02545 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HRH2 P25021 2/20 0.37
PTGER4 P35408 1/20 0.36

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
SCHEMBL6953114 0.91 NR3C2 (0.49) NR3C2RECQLTDP1KMT2AMEN1
SCHEMBL6950023 0.85 LMNA (0.46) NR3C2RECQLTDP1KMT2AMEN1
SCHEMBL6945824 0.81 NR3C2 (0.44) NR3C2RECQLTDP1KMT2AMEN1
SCHEMBL6947856 0.79 RECQL (0.45) NR3C2RECQLTDP1KMT2AMEN1
SCHEMBL6948537 0.78 PYGL (0.46) ATMGPBAR1LMNASMN1; SMN2ALDH1A1
SCHEMBL9236272 0.77 KMT2A (0.39) NR3C2KMT2AMEN1ATMLMNA
SCHEMBL6947702 0.77 PYGM (0.53) NR3C2KMT2A
SCHEMBL9236352 0.76 PYGM (0.47) KMT2AMEN1ATM
SCHEMBL6949624 0.75 KDM4E (0.47) NR3C2RECQLTDP1KMT2AMEN1
SCHEMBL6945482 0.75 CACNA1B (0.48) KMT2AMEN1ATMLMNASMN1; SMN2

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