SCHEMBL8828199

SCHEMBL8828199

COc1ccc(CCN2CCCC2CO)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SPHK2 Q9NRA0 4/20 0.58
SPHK1 Q9NYA1 3/20 0.58
MAPK1 P28482 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.54
ALDH1A1 P00352 1/20 0.54
HRH3 Q9Y5N1 3/20 0.52
DRD2 P14416 1/20 0.47
ABCB1 P08183 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL8828191 1.00 SPHK2 (0.58) SPHK2SPHK1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL8828205 0.96 MAPK1 (0.60) SPHK2SPHK1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL9739796 0.85 MAPK1 (0.57) SPHK2SPHK1MAPK1SMN1; SMN2ALDH1A1
SCHEMBL8828287 0.85 MAPK1 (0.53) MAPK1SMN1; SMN2ALDH1A1HRH3DRD2
SCHEMBL8828284 0.85 MAPK1 (0.53) MAPK1SMN1; SMN2ALDH1A1HRH3DRD2
SCHEMBL8828297 0.84 MAPK1 (0.52) MAPK1SMN1; SMN2ALDH1A1HRH3ABCB1
SCHEMBL8828289 0.84 MAPK1 (0.52) MAPK1SMN1; SMN2ALDH1A1HRH3ABCB1
SCHEMBL9372055 0.83 HRH3 (0.68) SPHK2SPHK1HRH3
SCHEMBL9374317 0.83 HRH3 (0.68) SPHK2SPHK1HRH3
SCHEMBL9372067 0.83 HRH3 (0.68) SPHK2SPHK1HRH3

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 6 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
US-5047417-A Butenoic or propenoic acid derivatives EISAI CO. LTD. (JP) 1991-09-10 US disclosed
EP-0344577-A2 Butenoic or propenoic acid derivatives Eisai Co., Ltd. (JP) 1989-12-06 EP disclosed