SCHEMBL31036718

SCHEMBL31036718

COc1cccc(C(=O)CC2Oc3cccc(OC)c3O2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CTNNB1 P35222 2/20 0.46
WNT3A P56704 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM1 P11229 1/20 0.46
CHRM3 P20309 1/20 0.46
CES2 O00748 1/20 0.46
CES1 P23141 1/20 0.46
KMT2A Q03164 4/20 0.45
GAA P10253 2/20 0.44
HPGD P15428 1/20 0.44
MEN1 O00255 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
MAPT P10636 1/20 0.44
PARP1 P09874 1/20 0.43

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
SCHEMBL31036746 0.88 CTNNB1 (0.46) LMNAMAPK1HTTTDP1L3MBTL1
SCHEMBL31036646 0.87 CES2 (0.53) LMNAMAPK1HTTTDP1L3MBTL1
SCHEMBL31036739 0.81 TSHR (0.44) LMNAHTTCTNNB1WNT3AKMT2A
SCHEMBL31036697 0.79 CTNNB1 (0.50) LMNAMAPK1HTTTDP1L3MBTL1
SCHEMBL31036752 0.79 TP53 (0.48) LMNAMAPK1HTTTDP1L3MBTL1
SCHEMBL31036717 0.78 TP53 (0.43) LMNAMAPK1HTTTDP1L3MBTL1
SCHEMBL31036722 0.76 CDYL2 (0.52) LMNAMAPK1HTTTDP1L3MBTL1
SCHEMBL31036771 0.75 CTNNB1 (0.46) LMNAMAPK1HTTTDP1L3MBTL1
SCHEMBL31036737 0.74 POLB (0.53) LMNAL3MBTL1CTNNB1WNT3ACHRM2
SCHEMBL4224612 0.74 HPGD (0.40) LMNAMAPK1CTNNB1WNT3AHPGD

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