SCHEMBL4089582

SCHEMBL4089582

CCN1C(C)=C(C(=O)O)C(CC)(c2ccc(OC)cc2F)C(C(=O)O)=C1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
PRKCZ Q05513 1/20 0.39
KDM4E B2RXH2 5/20 0.39
CPS1 P31327 4/20 0.37
HSD17B10 Q99714 5/20 0.35
ALDH1A1 P00352 4/20 0.35
HPGD P15428 4/20 0.35
TSHR P16473 1/20 0.35
RAB9A P51151 1/20 0.35
GLA P06280 1/20 0.34
HIF1A Q16665 1/20 0.34
HTT P42858 3/20 0.34
PIM1 P11309 2/20 0.34
CSNK1D P48730 2/20 0.34
CSNK1E P49674 2/20 0.34
CLK1 P49759 2/20 0.34
CLK3 P49761 2/20 0.34
CSNK1G2 P78368 2/20 0.34
DYRK1A Q13627 2/20 0.34
MAP3K19 Q56UN5 2/20 0.34

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
SCHEMBL4758337 0.72 HSD11B1 (0.36) TSHR
SCHEMBL31195695 0.72 ELANE (0.40) KMT2AKDM4EALDH1A1TSHRRAB9A
SCHEMBL4757355 0.70 PYGM (0.39) ALDH1A1HTTGAALMNA
SCHEMBL11390110 0.70 TDP1 (0.37) KMT2AKDM4EALDH1A1HPGDMEN1
SCHEMBL4757333 0.67 OPRM1 (0.36) KMT2AALDH1A1HPGDTSHRNPSR1
SCHEMBL4757340 0.67 NOTUM (0.34) L3MBTL1POLB
SCHEMBL9831573 0.65 PTGS2 (0.31) ALDH1A1LMNA
SCHEMBL19438820 0.65 KMT2A (0.54) KMT2AKDM4ECPS1CYP3A4
SCHEMBL5458967 0.64 MAPT (0.39) KMT2AKDM4EALDH1A1RAB9AMEN1
SCHEMBL1051747 0.63 CPS1 (0.63) KMT2AKDM4ECPS1ALDH1A1HPGD

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
WO-2009006580-A1 OPTIONALLY CONDENSED DIHYDROPYRIDINE, DIHYDROPYRIMIDINE AND DIHYDROPYRANE DERIVATIVES ACTING AS LATE SODIUM CHANNEL BLOCKERS CV THERAPEUTICS, INC. (US) 2009-01-08 WO disclosed