SCHEMBL6625552

SCHEMBL6625552

Nc1cc(CCO)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 2/20 0.47
GAA P10253 2/20 0.47
ALOX5 P09917 1/20 0.47
BACE1 P56817 1/20 0.47
CA2 P00918 2/20 0.41
TP53 P04637 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SLC6A2 P23975 3/20 0.40
SLC6A4 P31645 1/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA4 P22748 1/20 0.38
CA6 P23280 1/20 0.38
CA5A P35218 1/20 0.38

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
SCHEMBL12021475 0.83 KDM4E (0.47) KDM4EMAPTALDH1A1GAAALOX5
SCHEMBL31347497 0.83 TAAR1 (0.54) KDM4EMAPTALDH1A1GAABACE1
SCHEMBL1099257 0.83 CYP4F2 (0.46) KDM4EMAPTALDH1A1GAACA2
SCHEMBL4720461 0.80 ALDH1A1 (0.52) KDM4EMAPTALDH1A1GAAALOX5
SCHEMBL1238835 0.80 ALDH1A1 (0.52) KDM4EMAPTALDH1A1GAAALOX5
SCHEMBL30986331 0.80 ALDH1A1 (0.52) KDM4EMAPTALDH1A1GAAALOX5
SCHEMBL1068301 0.79 NPC1 (0.59) MAPTCA2TP53HSD17B10NPC1
SCHEMBL13577064 0.79 TAAR1 (0.56) ALDH1A1TP53HSD17B10NPC1PKM
SCHEMBL4301346 0.78 MAOB (0.54) SMN1; SMN2TAAR1
SCHEMBL1931989 0.77 FFAR1 (0.50) CA2CA1

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-1392644-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-03 EP disclosed
WO-2002096858-A1 CINNAMIDE DERIVATIVES AS KCNQ POTASSIUM CHANNEL MODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-12-05 WO disclosed