SCHEMBL6942375

SCHEMBL6942375

CC1=C(C(=O)O)C(c2c(F)cccc2Cl)C(C(=O)OC2CCCC2)=C(C)N1CCF

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.52
TP53 P04637 7/20 0.46
POLB P06746 2/20 0.46
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.36
TSHR P16473 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PYGL P06737 3/20 0.35
PYGM P11217 3/20 0.35
ALOX15 P16050 1/20 0.35
HTR3A P46098 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
SCHEMBL7241732 0.80 MAPT (0.68) MAPTTP53POLBALOX15
SCHEMBL6945774 0.78 ALOX15 (0.44) MAPTMEN1MAPK1KMT2AKDM4E
SCHEMBL8084184 0.76 MAPT (0.63) MAPTTP53POLBALOX15
SCHEMBL9246654 0.76 MAPT (0.62) MAPTTP53POLBMEN1KMT2A
SCHEMBL6952044 0.74 PYGM (0.50) PYGLPYGMALOX15
SCHEMBL9246649 0.73 MAPT (0.67) MAPTTP53POLBMEN1KMT2A
SCHEMBL6952275 0.72 NR3C2 (0.42) TP53POLBKDM4EPYGLPYGM
SCHEMBL9236145 0.72 TP53 (0.44) MAPTTP53TSHRPYGLPYGM
SCHEMBL7247365 0.71 MAPT (0.42) MAPTTP53POLBMEN1MAPK1
SCHEMBL9215355 0.70 PYGM (0.50) TSHRSMN1; SMN2PYGLPYGM

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0657431-B1 4-Phenyl-3-substituted 1,4-dihydropyridine esters with cerebral activity BAYER AG (DE) 2003-02-19 EP disclosed
EP-0657431-A1 4-Phenyl-3-substituted 1,4-dihydropyridine esters with cerebral activity BAYER AG (DE) 1995-06-14 EP disclosed