SCHEMBL8317337

SCHEMBL8317337

O=C(NCOCc1ccccc1)c1ccc2c(c1)CCCO2

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTNNB1 P35222 7/20 0.56
WNT3A P56704 7/20 0.56
NPC1 O15118 5/20 0.53
KLF5 Q13887 2/20 0.53
PKM P14618 1/20 0.53
PAX8 Q06710 1/20 0.53
RAB9A P51151 6/20 0.51
HPGD P15428 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CACNA1H O95180 1/20 0.44
KMT2A Q03164 1/20 0.44
ACHE P22303 1/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42

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
SCHEMBL8322382 0.93 RAB9A (0.53) CTNNB1WNT3ANPC1KLF5PKM
SCHEMBL26115654 0.78 KDM4E (0.68) CTNNB1WNT3ANPC1KLF5PKM
SCHEMBL3787714 0.75 HPGD (0.54) CTNNB1WNT3ANPC1KLF5PKM
SCHEMBL3788073 0.75 CTNNB1 (0.53) CTNNB1WNT3ANPC1KLF5PKM
SCHEMBL28860886 0.75 CTNNB1 (0.60) CTNNB1WNT3ANPC1RAB9ACACNA1H
SCHEMBL26560375 0.74 CTNNB1 (0.42) CTNNB1WNT3ANPC1KLF5PKM
SCHEMBL1922938 0.73 TAS1R3 (0.59) NPC1RAB9AHPGDHSD17B10KDM4E
SCHEMBL8891147 0.73 SMN1; SMN2 (0.65) NPC1RAB9AHPGDKMT2A
SCHEMBL3787786 0.73 TAS1R3 (0.61) CTNNB1WNT3ANPC1RAB9ACACNA1H
SCHEMBL30572064 0.73 RAB9A (0.53) CTNNB1WNT3ANPC1RAB9ACACNA1H

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-0888327-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1999-01-07 EP claimed
WO-1997034885-A1 BENZOPYRAN DERIVATIVES HAVING LEUKOTRIENE-ANTAGONISTIC ACTION LABORATORIOS MENARINI S.A. (ES) 1997-09-25 WO claimed