SCHEMBL13609779

SCHEMBL13609779

C=C(C)C(=O)Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.65
ABCG2 Q9UNQ0 1/20 0.65
MAPT P10636 7/20 0.60
KDM4E B2RXH2 4/20 0.60
ALDH1A1 P00352 4/20 0.60
NPC1 O15118 3/20 0.60
RAB9A P51151 3/20 0.60
STS P08842 1/20 0.57
TP53 P04637 4/20 0.56
CYP3A4 P08684 4/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SIGMAR1 Q99720 8/20 0.56
PLA2G2A P14555 1/20 0.56
PLA2G4A P47712 1/20 0.56
HPGD P15428 3/20 0.55
HSD17B10 Q99714 2/20 0.55
CALM1 P0DP23 1/20 0.55

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
SCHEMBL2301029 0.93 MAPT (0.60) ABCB1ABCG2MAPTKDM4EALDH1A1
SCHEMBL13609780 0.92 CYP3A4 (0.67) ABCB1ABCG2MAPTKDM4EALDH1A1
SCHEMBL18468323 0.89 MAPT (0.68) ABCB1ABCG2MAPTKDM4EALDH1A1
SCHEMBL9607679 0.89 MAPT (0.70) ABCB1ABCG2MAPTKDM4EALDH1A1
SCHEMBL28635129 0.88 ABCB1 (0.71) ABCB1ABCG2MAPTKDM4EALDH1A1
SCHEMBL18436555 0.87 MAPT (0.70) ABCB1ABCG2MAPTKDM4EALDH1A1
SCHEMBL19497306 0.87 TNKS (0.64) ABCB1ABCG2MAPTKDM4EALDH1A1
SCHEMBL20664349 0.86 MAPT (0.53) ABCB1ABCG2MAPTKDM4EALDH1A1
SCHEMBL19157960 0.85 MAPT (0.60) ABCB1ABCG2MAPTKDM4EALDH1A1
SCHEMBL22048297 0.85 MAPT (0.54) ABCB1ABCG2MAPTKDM4EALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2957618-B1 LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-08-01 EP disclosed
US-8338529-B2 Oil repellent copolymer, method for its production and oil repellent treatment solution ASAHI GLASS COMPANY, LIMITED (JP) 2012-12-25 US disclosed
US-8338529-B2 Oil repellent copolymer, method for its production and oil repellent treatment solution ASAHI GLASS COMPANY, LIMITED (JP) 2012-12-25 US disclosed
US-20090281239-A1 OIL REPELLENT COPOLYMER, METHOD FOR ITS PRODUCTION AND OIL REPELLENT TREATMENT SOLUTION ASAHI GLASS COMPANY LIMITED (JP) 2009-11-12 US disclosed
US-20090281239-A1 OIL REPELLENT COPOLYMER, METHOD FOR ITS PRODUCTION AND OIL REPELLENT TREATMENT SOLUTION ASAHI GLASS COMPANY LIMITED (JP) 2009-11-12 US disclosed