SCHEMBL31036717

SCHEMBL31036717

COc1cccc(C(=O)CC2Oc3cc(C(C)(C)C)cc(C(C)(C)C)c3O2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
CTNNB1 P35222 2/20 0.42
WNT3A P56704 2/20 0.42
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HSD11B1 P28845 3/20 0.40
CDYL2 Q8N8U2 4/20 0.39
CDYL Q9Y232 4/20 0.39
NPC1 O15118 2/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PARP1 P09874 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 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
SCHEMBL31036752 0.85 TP53 (0.48) TP53CTNNB1WNT3ACHRM2CHRM1
SCHEMBL31036646 0.80 CES2 (0.53) CTNNB1WNT3ACHRM2CHRM1CHRM3
SCHEMBL31036718 0.78 LMNA (0.48) CTNNB1WNT3ACHRM2CHRM1CHRM3
SCHEMBL31036746 0.78 CTNNB1 (0.46) CTNNB1WNT3ACHRM2CHRM1CHRM3
SCHEMBL31174553 0.75 TP53 (0.46) TP53CTNNB1WNT3ACHRM2CHRM1
SCHEMBL31036697 0.75 CTNNB1 (0.50) TP53CTNNB1WNT3ACHRM2CHRM1
SCHEMBL31036722 0.72 CDYL2 (0.52) CTNNB1WNT3ACHRM2CHRM1CHRM3
SCHEMBL31036771 0.71 CTNNB1 (0.46) CTNNB1WNT3ACHRM2CHRM1CHRM3
SCHEMBL31036737 0.70 POLB (0.53) TP53CTNNB1WNT3ACHRM2CHRM1
SCHEMBL12221563 0.67 CES2 (0.61) CTNNB1WNT3ACHRM2CHRM1CHRM3

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
WO-2024214103-A1 A DENTAL COMPOSITE AND METHOD OF PHOTO-INDUCED POLYMERISATION USING NOVEL CO-INITIATOR SHIV NADAR (INSTITUTION OF EMINENCE DEEMED TO BE UNIVERSITY) (IN) 2024-10-17 WO disclosed
WO-2024189634-A1 HIGHLY ATOM ECONOMICAL PROCESS FOR SYNTHESIS OF NOVEL CO-INITIATOR FOR PHOTO-INDUCED RADICAL POLYMERISATION SHIV NADAR (INSTITUTION OF EMINENCE DEEMED TO BE UNIVERSITY) (IN) 2024-09-19 WO disclosed