SCHEMBL31036737

SCHEMBL31036737

COc1cccc(C(=O)CC2Oc3ccc([N+](=O)[O-])cc3O2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
MAPT P10636 4/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
HPGD P15428 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 4/20 0.48
TP53 P04637 1/20 0.48
AHR P35869 1/20 0.47
NPC1 O15118 1/20 0.47
KDM4E B2RXH2 1/20 0.47
THRB P10828 1/20 0.47
BCHE P06276 1/20 0.46
ACHE P22303 1/20 0.46
LMNA P02545 1/20 0.46
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

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 0.83 CES2 (0.53) POLBMAPTMEN1KMT2AHPGD
SCHEMBL31036697 0.82 CTNNB1 (0.50) POLBMAPTMEN1KMT2AHPGD
SCHEMBL31036752 0.80 TP53 (0.48) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL31036722 0.80 CDYL2 (0.52) POLBMAPTKMT2ASMN1; SMN2NPC1
SCHEMBL12862879 0.78 HTT (0.45) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL31036718 0.74 LMNA (0.48) POLBMAPTMEN1KMT2AHPGD
SCHEMBL31036746 0.74 CTNNB1 (0.46) POLBSMN1; SMN2NPC1LMNACTNNB1
SCHEMBL31036771 0.74 CTNNB1 (0.46) POLBMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL7789143 0.73 MAPT (0.64) MAPTMEN1KMT2AHPGDSMN1; SMN2
SCHEMBL1167587 0.71 CHRNB4 (0.42) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1

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