SCHEMBL6947853

SCHEMBL6947853

COCCOC(=O)C1=C(C)NC(C)=C(C(=O)O)C1c1c(F)cccc1F

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.59
MTOR P42345 1/20 0.48
RAB9A P51151 1/20 0.48
CACNA1B Q00975 5/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2C9 P11712 2/20 0.47
CYP2C19 P33261 2/20 0.47
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
CYP2D6 P10635 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
THPO P40225 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ADORA3 P0DMS8 2/20 0.46
ALDH1A1 P00352 1/20 0.45
PDE1C Q14123 1/20 0.45

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
SCHEMBL6945772 0.92 ALOX15 (0.68) ALOX15MTORRAB9ACACNA1BMEN1
SCHEMBL6948648 0.87 CYP1A2 (0.62) ALOX15MTORRAB9AMEN1KMT2A
SCHEMBL6945817 0.87 ALOX15 (0.51) ALOX15MTORCACNA1BMEN1KMT2A
SCHEMBL6950016 0.87 ALOX15 (0.50) ALOX15CACNA1BMAPTKDM4EADORA3
SCHEMBL6944706 0.80 ALOX15 (0.64) ALOX15MTORMEN1KMT2ACYP1A2
SCHEMBL7881070 0.80 KDM4E (0.54) MTORRAB9ACACNA1BMEN1KMT2A
SCHEMBL6945482 0.80 CACNA1B (0.48) ALOX15RAB9ACACNA1BMEN1KMT2A
SCHEMBL6949620 0.80 CACNA1C (0.55) MEN1KMT2ACYP1A2CYP3A4CYP2C9
SCHEMBL7266477 0.79 KDM4E (0.56) CACNA1BMEN1KMT2ACYP1A2CYP3A4
SCHEMBL6949599 0.78 ALOX15 (0.61) ALOX15MTORMEN1KMT2ACYP1A2

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