SCHEMBL24035968

SCHEMBL24035968

CCCOCCNc1ncc(C(=O)O)s1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 6/20 0.42
P2RY2 P41231 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
LCK P06239 2/20 0.41
TMPRSS15 P98073 2/20 0.39
FFAR2 O15552 1/20 0.38
RARB P10826 1/20 0.37
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 1/20 0.37
LIMK1 P53667 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CDK5 Q00535 1/20 0.36
HCAR3 P49019 1/20 0.35

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
SCHEMBL16113553 0.79 HCAR2 (0.52) MAPK14HCAR2LCKFFAR2NPC1
SCHEMBL13623803 0.78 HCAR2 (0.45) MAPK14HCAR2LCKTMPRSS15FFAR2
SCHEMBL4252915 0.77 HCAR2 (0.46) MAPK14HCAR2LCKTMPRSS15FFAR2
SCHEMBL21552094 0.77 TMPRSS15 (0.58) MAPK14HCAR2LCKTMPRSS15FFAR2
SCHEMBL9296920 0.77 MAPK14 (0.51) MAPK14LCKTMPRSS15FFAR2LIMK1
SCHEMBL13610843 0.74 HCAR2 (0.44) MAPK14HCAR2LCKTMPRSS15FFAR2
SCHEMBL4249606 0.74 HCAR2 (0.41) MAPK14HCAR2LCKFFAR2
SCHEMBL12715517 0.73 MAPK14 (0.53) MAPK14LCKTMPRSS15NPC1CYP1A2
SCHEMBL24348890 0.72 MAPK14 (0.55) MAPK14LCKTMPRSS15NPC1RAB9A
SCHEMBL4299723 0.72 BCHE (0.43) MAPK14P2RY2HCAR2LCKCYP3A4

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-2021231474-A1 METHODS AND COMPOUNDS FOR RESTORING MUTANT p53 FUNCTION PMV PHARMACEUTICALS, INC. (US) 2021-11-18 WO disclosed