SCHEMBL29627416

SCHEMBL29627416

CCCCCCC(C)(C)c1cc(O)c(C(=O)Nc2ccccn2)c(O)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
ALOX12 P18054 1/20 0.49
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CNR1 P21554 9/20 0.46
CNR2 P34972 9/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
GPR18 Q14330 3/20 0.42
GPR55 Q9Y2T6 3/20 0.42
ALOX15 P16050 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KCNMA1 Q12791 1/20 0.42

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
SCHEMBL24539603 1.00 MEN1 (0.49) MEN1KMT2AALOX12HTTSMN1; SMN2
SCHEMBL29627405 0.86 NPC1 (0.49) MEN1KMT2AALOX12HTTSMN1; SMN2
SCHEMBL29627402 0.86 CNR2 (0.45) CNR1CNR2GPR18GPR55
SCHEMBL24539593 0.86 CNR2 (0.45) CNR1CNR2GPR18GPR55
SCHEMBL24539687 0.83 CNR1 (0.49) MEN1KMT2AHTTSMN1; SMN2CNR1
SCHEMBL29627414 0.73 CNR2 (0.43) CNR1CNR2KDM4ETP53MAPT
SCHEMBL24539594 0.73 MAPK1 (0.47) MEN1KMT2ASMN1; SMN2CNR1CNR2
SCHEMBL24539677 0.72 GRM5 (0.46) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL29627410 0.72 GRM5 (0.46) MEN1KMT2AHTTNPC1RAB9A
SCHEMBL24539604 0.70 CNR2 (0.49) CNR1CNR2GPR18GPR55

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-2022133058-A1 RESORCINOL-BASED COMPOUNDS AND USES THEREOF SUTTER BAY HOSPITALS (US) 2022-06-23 WO disclosed