SCHEMBL21538153

SCHEMBL21538153

C/C(=C\CC[C@@]1(C)CCc2c(O)cc3c(c2O1)CN(CCO)C3=O)CCC(O)C(C)(C)O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALOX5 P09917 19/20 0.46
▸ PTPN2 P17706 1/20 0.39
▸ PTPN1 P18031 1/20 0.39
▸ PTPN6 P29350 1/20 0.39

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
SCHEMBL29425569 0.86 PTPN2 (0.40) ALOX5PTPN2PTPN1PTPN6
SCHEMBL9880209 0.86 PTPN2 (0.40) ALOX5PTPN2PTPN1PTPN6
SCHEMBL24632221 0.81 ALOX5 (0.49) ALOX5
SCHEMBL22863341 0.77 PTPN2 (0.38) ALOX5PTPN2PTPN1PTPN6
SCHEMBL22863342 0.77 PTPN2 (0.38) ALOX5PTPN2PTPN1PTPN6
SCHEMBL15744226 0.75 ALOX5 (0.54) ALOX5
SCHEMBL24632197 0.75 ALOX5 (0.43) ALOX5
SCHEMBL22863326 0.72 APP (0.35) ALOX5PTPN1
SCHEMBL9880208 0.72 APP (0.35) ALOX5PTPN1
SCHEMBL15744228 0.72 APP (0.35) ALOX5PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47684-E1 Cytoprotective agent TMS CO., LTD. (JP) 2019-11-05 — — US disclosed
Send feedback