SCHEMBL24313207

SCHEMBL24313207

CCCCCCC(C)c1cccnc1CO

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FAAH O00519 8/20 0.39
TLR8 Q9NR97 1/20 0.37
PPARG P37231 1/20 0.36
DAGLA Q9Y4D2 5/20 0.36
GPR84 Q9NQS5 1/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.35
ALOX15 P16050 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
NPC1 O15118 1/20 0.35
HSP90AA1 P07900 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SOAT1 P35610 1/20 0.34

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
SCHEMBL24261276 0.80 FAAH (0.36) FAAHGPR84KDM4ELMNAUSP2
SCHEMBL23082844 0.80 FAAH (0.36) FAAHGPR84KDM4ELMNAUSP2
SCHEMBL19578799 0.79 PPARG (0.38) FAAHPPARG
SCHEMBL21755112 0.79 ADA (0.42) ALDH1A1FAAHTLR8KDM4EALOX15
SCHEMBL25452695 0.77 PTPN1 (0.42) ALDH1A1L3MBTL1FAAHPPARGKDM4E
SCHEMBL30541526 0.77 ADA (0.40) FAAHTLR8
SCHEMBL27834249 0.77 ADA (0.40) FAAHTLR8
SCHEMBL29117493 0.76 FAAH (0.39) ALDH1A1FAAHTLR8PPARGDAGLA
SCHEMBL2084128 0.76 L3MBTL1 (0.53) ALDH1A1L3MBTL1FAAHKDM4ELMNA
SCHEMBL21776261 0.75 LMNA (0.36) FAAHTLR8PPARGGPR84KDM4E

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-4043460-A1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2022-08-17 EP disclosed
EP-3784666-B1 ANTIPROLIFERATION COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2022-03-16 EP disclosed