SCHEMBL19087209

SCHEMBL19087209

COCC(C)(C)C(Cc1ccc(Cl)c(OCCCO)c1)N(N)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
ATM Q13315 1/20 0.35
ALDH1A1 P00352 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
REN P00797 8/20 0.34
PPARG P37231 3/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
PTGES O14684 1/20 0.33
ALOX5 P09917 1/20 0.33
LMNA P02545 1/20 0.32
LDHA P00338 1/20 0.32
CTSD P07339 1/20 0.32

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
SCHEMBL19087203 0.89 MMP1 (0.39) ALDH1A1RENPPARGPTGESALOX5
SCHEMBL19087186 0.81 ALDH1A1 (0.37) KDM4EMAPTMAPK1ALDH1A1SMN1; SMN2
SCHEMBL17265982 0.78 MMP1 (0.40) MAPTATMALDH1A1RENPPARG
SCHEMBL17732271 0.76 REN (0.40) ALDH1A1SMN1; SMN2RENPPARGPPARD
SCHEMBL16981217 0.75 KDM4E (0.37) KDM4EMAPTMAPK1ATMALDH1A1
SCHEMBL19087185 0.73 REN (0.42) ALDH1A1SMN1; SMN2REN
SCHEMBL19087120 0.72 REN (0.39) RENPPARGPTGESALOX5
SCHEMBL17721709 0.72 REN (0.37) MAPTMAPK1ALDH1A1SMN1; SMN2REN
SCHEMBL20059002 0.71 REN (0.42) REN
SCHEMBL19087147 0.71 SIGMAR1 (0.45) KDM4ERENLDHA

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
WO-2017114812-A1 COMBINATION THERAPY OF AN HBSAG INHIBITOR AND AN INTERFERON F. HOFFMANN-LA ROCHE AG (CH) 2017-07-06 WO disclosed