SCHEMBL6945774

SCHEMBL6945774

COCCN1C(C)=C(C(=O)O)C(c2c(F)cccc2Cl)C(C(=O)O)=C1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.44
GPBAR1 Q8TDU6 5/20 0.41
RECQL P46063 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
P2RX7 Q99572 1/20 0.41
LMNA P02545 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NR3C2 P08235 1/20 0.41
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
PYGL P06737 2/20 0.39
PYGM P11217 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
MAPK1 P28482 1/20 0.38
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL6947856 0.92 RECQL (0.45) ALOX15GPBAR1RECQLTDP1LMNA
SCHEMBL6952044 0.91 PYGM (0.50) ALOX15GPBAR1NR3C2PYGLPYGM
SCHEMBL7074756 0.82 ALOX15 (0.41) ALOX15SMN1; SMN2PYGLPYGMGAA
SCHEMBL6949414 0.82 PYGM (0.49) RECQLTDP1NR3C2KMT2AMEN1
SCHEMBL6945824 0.81 NR3C2 (0.44) GPBAR1RECQLTDP1LMNASMN1; SMN2
SCHEMBL6950023 0.81 LMNA (0.46) GPBAR1RECQLTDP1LMNASMN1; SMN2
SCHEMBL6942375 0.78 MAPT (0.52) ALOX15SMN1; SMN2KMT2AMEN1PYGL
SCHEMBL6949655 0.76 PYGL (0.44) LMNASMN1; SMN2NR3C2PYGLPYGM
SCHEMBL6945772 0.76 ALOX15 (0.68) ALOX15LMNAKMT2AMEN1KDM4E
SCHEMBL9215355 0.76 PYGM (0.50) SMN1; SMN2PYGLPYGMGAA

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