SCHEMBL4597200

SCHEMBL4597200

CC1(C)O[C@@H]2[C@H](O1)[C@@H](OCCN1CCN(C(=O)Nc3ccc(Cl)cc3)CC1)O[C@@H]2[C@H]1COC(C)(C)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.43
▸ GAA P10253 3/20 0.40
▸ KDM4C Q9H3R0 1/20 0.40
▸ FAAH O00519 3/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ HTR2C P28335 1/20 0.39
▸ MAPK1 P28482 2/20 0.38
▸ ALOX5 P09917 1/20 0.38
▸ LMNA P02545 2/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CA12 O43570 1/20 0.38
▸ CA1 P00915 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ CCR2 P41597 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TP53 P04637 1/20 0.38

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
SCHEMBL4595660 0.84 KDM4E (0.42) KMT2AMAPK1LMNAKDM4ESMN1; SMN2
SCHEMBL4597673 0.82 SLC6A2 (0.39) GAAKMT2AHTR2AKDM4E
SCHEMBL4597148 0.80 LDHA (0.43) SMN1; SMN2TP53KCNA5
SCHEMBL4595444 0.78 SIGMAR1 (0.46) HTR2A
SCHEMBL4596757 0.78 HTT (0.41) GAAKMT2AMAPK1LMNAKDM4E
SCHEMBL4163722 0.76 CA1 (0.36) GAACA12CA1CA2CA9
SCHEMBL4596541 0.76 PDE4B (0.33) GAASMN1; SMN2
SCHEMBL4597224 0.76 ALDH1A1 (0.32) KMT2AMAPK1LMNA
SCHEMBL6271659 0.75 GAA (0.43) USP2GAAKDM4CFAAHKMT2A
SCHEMBL4597120 0.74 HRH3 (0.37) HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874788-A1 MONOSACCHARIDE DERIVATIVES AS ANTI-INFLAMMATORY AND/OR ANTI-CANCER AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-09 — — EP disclosed
WO-2006111783-A1 MONOSACCHARIDE DERIVATIVES AS ANTI-INFLAMMATORY AND/OR ANTI-CANCER AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-10-26 — — WO disclosed
Send feedback