SCHEMBL6948567

SCHEMBL6948567

COCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC2CCCCC2)C1c1cccc(F)c1F

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.57
TP53 P04637 4/20 0.52
ALOX15 P16050 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
PDE1C Q14123 3/20 0.44
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL6953510 0.99 SMN1; SMN2 (0.56) SMN1; SMN2TP53ALOX15MEN1KMT2A
SCHEMBL6945832 0.87 SMN1; SMN2 (0.54) SMN1; SMN2TP53MEN1KMT2APDE1C
SCHEMBL8099097 0.87 SMN1; SMN2 (0.52) SMN1; SMN2TP53ALOX15MEN1KMT2A
SCHEMBL8091021 0.86 SMN1; SMN2 (0.52) SMN1; SMN2TP53MEN1KMT2APDE1C
SCHEMBL8091377 0.86 SMN1; SMN2 (0.51) SMN1; SMN2TP53ALOX15MEN1KMT2A
SCHEMBL6945817 0.84 ALOX15 (0.51) TP53ALOX15MEN1KMT2AALDH1A1
SCHEMBL6947901 0.82 CYP2C9 (0.59) TP53ALOX15MEN1KMT2AALDH1A1
SCHEMBL6953297 0.81 MEN1 (0.54) SMN1; SMN2TP53MEN1KMT2APDE1C
SCHEMBL3032439 0.78 MTOR (0.59) SMN1; SMN2TP53MEN1KMT2AALDH1A1
SCHEMBL8913648 0.78 ADORA3 (0.52) SMN1; SMN2TP53MEN1KMT2AALDH1A1

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 3 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 claimed
US-6066655-A FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISORDERS, IN PARTICULAR AS CEREBRAL THERAPEUTICS BAYER AKTIENGESELLSCHAFT (DE) 2000-05-23 US disclosed
US-5731333-A LEARNING AND MEMORY ENHANCEMENT, ANTIDEPRESSANTS BAYER AKTIENGESELLSCHAFT (DE) 1998-03-24 US disclosed