SCHEMBL8828205

SCHEMBL8828205

COc1ccc(CCN2CCCCC2CO)cc1OC

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.60
SPHK2 Q9NRA0 3/20 0.54
SPHK1 Q9NYA1 3/20 0.54
ALDH1A1 P00352 3/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.50
CRHBP P24387 1/20 0.49
CRHR2 Q13324 1/20 0.49
HRH3 Q9Y5N1 2/20 0.48
SLC6A4 P31645 1/20 0.46
SIGMAR1 Q99720 1/20 0.46

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
SCHEMBL8828199 0.96 SPHK2 (0.58) MAPK1SPHK2SPHK1ALDH1A1SMN1; SMN2
SCHEMBL8828191 0.96 SPHK2 (0.58) MAPK1SPHK2SPHK1ALDH1A1SMN1; SMN2
SCHEMBL9739796 0.89 MAPK1 (0.57) MAPK1SPHK2SPHK1ALDH1A1SMN1; SMN2
SCHEMBL5191198 0.86 MAPK1 (0.56) MAPK1ALDH1A1SMN1; SMN2KDM4ECRHBP
SCHEMBL8828243 0.85 MAPK1 (0.58) MAPK1ALDH1A1SMN1; SMN2KDM4ECRHBP
SCHEMBL26024359 0.85 MAPK1 (0.55) MAPK1ALDH1A1SMN1; SMN2KDM4ESIGMAR1
SCHEMBL8828312 0.84 MAPK1 (0.57) MAPK1ALDH1A1SMN1; SMN2KDM4ECRHBP
SCHEMBL9740312 0.84 MAPK1 (0.57) MAPK1ALDH1A1SMN1; SMN2KDM4ECRHBP
SCHEMBL6807049 0.83 HRH3 (0.63) SPHK2SPHK1HRH3SIGMAR1
SCHEMBL9372352 0.83 HRH3 (0.63) SPHK2SPHK1HRH3SIGMAR1

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