SCHEMBL8828237

SCHEMBL8828237

CCN(CCCN(C)CCc1ccc(OC)c(OC)c1)C(=O)/C=C/c1ccc(Cl)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.51
KMT2A Q03164 2/20 0.49
BCHE P06276 2/20 0.49
MAOA P21397 2/20 0.49
ACHE P22303 2/20 0.49
MAOB P27338 2/20 0.49
CYP3A4 P08684 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2D6 P10635 1/20 0.49
BLM P54132 1/20 0.48
PMP22 Q01453 1/20 0.48
MMP1 P03956 1/20 0.48
SMPD1 P17405 1/20 0.47
ABCG2 Q9UNQ0 1/20 0.47
ALDH1A1 P00352 3/20 0.46
CYP2C9 P11712 2/20 0.46
CYP2C19 P33261 2/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 4/20 0.45
LMNA P02545 2/20 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
SCHEMBL8828198 0.91 APP (0.51) APPKMT2ABCHEMAOAACHE
SCHEMBL8828278 0.82 MAPT (0.62) KMT2ACYP1A2ALDH1A1MEN1MAPT
SCHEMBL8828421 0.81 CYP3A4 (0.56) APPKMT2ABCHEMAOAACHE
SCHEMBL8828181 0.80 CYP3A4 (0.52) APPKMT2ACYP3A4CYP1A2CYP2D6
SCHEMBL8828400 0.78 CYP3A4 (0.47) KMT2ACYP3A4CYP1A2CYP2D6BLM
SCHEMBL8828188 0.77 LMNA (0.49) KMT2ACYP3A4CYP1A2CYP2D6BLM
SCHEMBL18239557 0.74 CYP3A4 (0.90) KMT2ACYP3A4CYP1A2CYP2D6BLM
SCHEMBL4878055 0.74 APP (0.62) APPKMT2ABCHEMAOAACHE
SCHEMBL4878047 0.74 APP (0.62) APPKMT2ABCHEMAOAACHE
SCHEMBL8828304 0.74 SMPD1 (0.49) APPKMT2ACYP3A4CYP1A2CYP2D6

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
US-5607953-A ANTIISCHEMIC AGENTS EISAI CO., LTD. (JP) 1997-03-04 US disclosed
EP-0344577-B1 Butenoic or propenoic acid derivatives EISAI CO LTD (JP) 1996-10-09 EP disclosed
US-5382595-A Antiischemic agents EISAI CO., LTD. (JP) 1995-01-17 US disclosed
US-5177089-A Antiischemic agent, vasodilator EISAI CO., LTD. (JP) 1993-01-05 US disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 EP disclosed