SCHEMBL9549566

SCHEMBL9549566

CCOc1ccc(C(=C(C#N)CC(=O)O)c2ccc(OCC)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 1/20 0.50
PARP10 Q53GL7 1/20 0.49
ALDH1A1 P00352 4/20 0.48
PLA2G4B P0C869 1/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 2/20 0.47
MAPT P10636 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPSR1 Q6W5P4 3/20 0.45
HPGD P15428 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KDM4E B2RXH2 1/20 0.43
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TP53 P04637 1/20 0.43

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
SCHEMBL9549129 0.95 NPC1 (0.52) PLK1PARP10ALDH1A1PLA2G4BNPC1
SCHEMBL9549122 0.95 NPC1 (0.52) PLK1PARP10ALDH1A1PLA2G4BNPC1
SCHEMBL9549238 0.88 ALDH1A1 (0.51) PLK1PARP10ALDH1A1PLA2G4BNPC1
SCHEMBL9549067 0.85 CA1 (0.49) PLK1PARP10ALDH1A1CYP1A2CYP2C19
SCHEMBL9548997 0.85 NPC1 (0.54) PLK1PARP10ALDH1A1PLA2G4BNPC1
SCHEMBL9549032 0.83 CYP19A1 (0.50) PARP10ALDH1A1PLA2G4BNPC1RAB9A
SCHEMBL9549320 0.83 ALDH1A1 (0.49) PARP10ALDH1A1PLA2G4BNPC1RAB9A
SCHEMBL9549035 0.83 CYP19A1 (0.50) PARP10ALDH1A1PLA2G4BNPC1RAB9A
SCHEMBL9549325 0.83 ALDH1A1 (0.49) PARP10ALDH1A1PLA2G4BNPC1RAB9A
SCHEMBL9549039 0.83 CYP19A1 (0.50) PARP10ALDH1A1PLA2G4BNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5206403-A Diphenylethylene derivatives, pharmaceutical compositions containing same and treatment methods EISAI CO., LTD. (JP) 1993-04-27 US disclosed
US-5182301-A Anticoagulants EISAI CO., LTD. (JP) 1993-01-26 US disclosed
EP-0238973-B1 DIPHENYL-METHANE DERIVATIVE, PHARMACEUTICAL COMPOSITION AND USE Eisai Co., Ltd. (JP) 1992-12-02 EP 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-5064848-A Anticoagulants EISAI CO., LTD. (JP) 1991-11-12 US 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