SCHEMBL9518543

SCHEMBL9518543

CCOC(=O)CC(CON=C(c1ccccc1)c1ccc(OC)cc1)=NOC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.44
MAPT P10636 9/20 0.44
ALDH1A1 P00352 3/20 0.44
MAPK1 P28482 1/20 0.44
CYP19A1 P11511 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
F2 P00734 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C19 P33261 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
CDK5 Q00535 2/20 0.40

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
SCHEMBL9516341 0.95 ALDH1A1 (0.43) MAPTALDH1A1KMT2AGAASMN1; SMN2
SCHEMBL9518576 0.87 TBXAS1 (0.47) TBXAS1MAPTALDH1A1MAPK1CYP19A1
SCHEMBL9517501 0.87 NPC1 (0.42) MAPTALDH1A1MAPK1GAASMN1; SMN2
SCHEMBL9516296 0.87 MAPT (0.48) MAPTALDH1A1MAPK1CES2CES1
SCHEMBL9520420 0.86 MAPT (0.43) MAPTALDH1A1MAPK1CES2CES1
SCHEMBL9516891 0.83 CA1 (0.42) MAPTALDH1A1MAPK1CES2CES1
SCHEMBL9516306 0.82 KMT2A (0.45) MAPTALDH1A1KMT2AMEN1GAA
SCHEMBL11524689 0.82 HDAC3 (0.47) TBXAS1MAPTALDH1A1CES2CES1
SCHEMBL9517720 0.78 PLA2G4B (0.45) MAPTALDH1A1MAPK1KMT2AMEN1
SCHEMBL4809728 0.74 ALDH1A1 (0.51) MAPTALDH1A1KMT2AMEN1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0346943-B1 DIPHENYL-METHANE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE Eisai Co., Ltd. (JP) 1993-02-17 EP disclosed
US-5182301-A Anticoagulants EISAI CO., LTD. (JP) 1993-01-26 US disclosed
EP-0479332-A2 Diphenyl-methane derivative, pharmaceutical composition and use Eisai Co., Ltd. (JP) 1992-04-08 EP disclosed
US-5103010-A DIPHENYLETHYLENE DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND TREATMENT METHOD EISAI CO., LTD. (JP) 1992-04-07 US disclosed
EP-0478001-A1 Benzophenone oxime derivatives, pharmaceutical compositions and use Eisai Co., Ltd. (JP) 1992-04-01 EP disclosed
US-5034418-A Anticoagulants EISAI CO., LTD. (JP) 1991-07-23 US disclosed
US-4978767-A ANTICOAGULANTS EISAI CO., LTD. (JP) 1990-12-18 US disclosed
US-4954523-A ANTICOAGULANT EISAI CO., LTD. (JP) 1990-09-04 US disclosed
US-4886834-A ANTICOAGULANTS EISAI CO., LTD. (JP) 1989-12-12 US disclosed
EP-0238973-A2 Diphenyl-methane derivative, pharmaceutical composition and use Eisai Co., Ltd. (JP) 1987-09-30 EP disclosed