SCHEMBL29627414

SCHEMBL29627414

CCCCCCC(C)(C)c1cc(OC)c(C(=O)Nc2ccncn2)c(OC)c1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 19/20 0.43
CNR1 P21554 12/20 0.41
KDM4E B2RXH2 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
ACAT1 P24752 1/20 0.40
SOAT1 P35610 1/20 0.40
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL29627405 0.87 NPC1 (0.49) CNR2CNR1KDM4ETP53ALOX15
SCHEMBL24539593 0.87 CNR2 (0.45) CNR2CNR1GPR55
SCHEMBL29627402 0.87 CNR2 (0.45) CNR2CNR1GPR55
SCHEMBL29627416 0.73 MEN1 (0.49) CNR2CNR1KDM4ETP53MAPT
SCHEMBL24539603 0.73 MEN1 (0.49) CNR2CNR1KDM4ETP53MAPT
SCHEMBL29627403 0.71 NPC1 (0.53) TP53MAPTALOX15TSHR
SCHEMBL29627391 0.71 MAPT (0.53) CNR2CNR1KDM4EMAPT
SCHEMBL29627409 0.69 SMN1; SMN2 (0.54) CNR2MAPTTSHR
SCHEMBL29627393 0.69 HTR1D (0.44) CNR2CNR1TP53MAPTALOX15
SCHEMBL29627407 0.69 MAPT (0.50) CNR2MAPTALOX15TSHR

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