SCHEMBL31036722

SCHEMBL31036722

COc1cccc(C(=O)CC2Oc3ccc(C#N)cc3O2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDYL2 Q8N8U2 2/20 0.52
CBX7 O95931 1/20 0.52
CDY1; CDY1B Q9Y6F8 1/20 0.52
CTNNB1 P35222 2/20 0.47
WNT3A P56704 2/20 0.47
P4HB P07237 1/20 0.46
CHRM2 P08172 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 1/20 0.44
RAB9A P51151 2/20 0.44
NPC1 O15118 1/20 0.44
POLB P06746 1/20 0.44
BLM P54132 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CES2 O00748 1/20 0.43
CES1 P23141 1/20 0.43
KMT2A Q03164 1/20 0.43
GSK3B P49841 1/20 0.42
HSD11B1 P28845 1/20 0.42
PARP1 P09874 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
SCHEMBL31036646 0.85 CES2 (0.53) CDYL2CBX7CDY1; CDY1BCTNNB1WNT3A
SCHEMBL31036697 0.84 CTNNB1 (0.50) CDYL2CTNNB1WNT3ACHRM2CHRM1
SCHEMBL31036752 0.81 TP53 (0.48) CDYL2CTNNB1WNT3ACHRM2CHRM1
SCHEMBL31036737 0.80 POLB (0.53) CTNNB1WNT3ACHRM2CHRM1CHRM3
SCHEMBL31036718 0.76 LMNA (0.48) CDYL2CBX7CDY1; CDY1BCTNNB1WNT3A
SCHEMBL31036746 0.76 CTNNB1 (0.46) CDYL2CBX7CDY1; CDY1BCTNNB1WNT3A
SCHEMBL31036771 0.76 CTNNB1 (0.46) CDYL2CBX7CDY1; CDY1BCTNNB1WNT3A
SCHEMBL4748615 0.74 RAB9A (0.56) CDYL2CBX7CDY1; CDY1BP4HBCHRM2
SCHEMBL31036717 0.72 TP53 (0.43) CDYL2CBX7CDY1; CDY1BCTNNB1WNT3A
SCHEMBL16396165 0.71 P4HB (0.63) CDYL2CBX7CDY1; CDY1BP4HBRAB9A

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 3 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 claimed
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