SCHEMBL9517501

SCHEMBL9517501

CCOC(=O)CC(CON=C(c1ccc(OCC)cc1)c1ccc(OCC)cc1)=NOC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 2/20 0.42
CYP1A2 P05177 1/20 0.42
PLK1 P53350 1/20 0.42
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
PKM P14618 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PARP10 Q53GL7 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
POLB P06746 3/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 1/20 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 0.92 ALDH1A1 (0.43) NPC1ALDH1A1KDM4ECYP1A2RAB9A
SCHEMBL9517720 0.88 PLA2G4B (0.45) NPC1ALDH1A1KDM4ECYP1A2PLK1
SCHEMBL9518543 0.87 TBXAS1 (0.44) NPC1ALDH1A1CYP1A2RAB9ASMN1; SMN2
SCHEMBL9520361 0.85 PLA2G4B (0.47) NPC1ALDH1A1PLK1RAB9ASMN1; SMN2
SCHEMBL9520420 0.81 MAPT (0.43) NPC1ALDH1A1CYP1A2PLK1RAB9A
SCHEMBL9516306 0.78 KMT2A (0.45) NPC1ALDH1A1SMN1; SMN2MAPTLMNA
SCHEMBL11524689 0.77 HDAC3 (0.47) ALDH1A1MAPTTP53L3MBTL1POLB
SCHEMBL9516891 0.76 CA1 (0.42) NPC1ALDH1A1PLK1RAB9ASMN1; SMN2
SCHEMBL9518576 0.74 TBXAS1 (0.47) NPC1ALDH1A1RAB9ASMN1; SMN2MAPT
SCHEMBL9516296 0.73 MAPT (0.48) NPC1ALDH1A1KDM4ERAB9ASMN1; SMN2

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 9 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