SCHEMBL31036739

SCHEMBL31036739

COc1ccc(Br)c(C(=O)CC2Oc3cccc(OC)c3O2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
HTT P42858 2/20 0.44
POLB P06746 2/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 6/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
GAA P10253 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ATM Q13315 1/20 0.37
AGTR1 P30556 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD11B1 P28845 1/20 0.37
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36

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
SCHEMBL31036718 0.81 LMNA (0.48) HTTPOLBHPGDKDM4EALDH1A1
SCHEMBL31036755 0.78 CASP3 (0.42) TSHRHTTPOLBHPGDKDM4E
SCHEMBL31036664 0.73 ALDH1A1 (0.45) HTTHPGDALDH1A1MAPTRAB9A
SCHEMBL4224612 0.71 HPGD (0.40) HPGDKDM4EALDH1A1MAPTSMN1; SMN2
SCHEMBL31036746 0.70 CTNNB1 (0.46) HTTPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL31036646 0.68 CES2 (0.53) HTTPOLBHPGDKDM4EMAPT
SCHEMBL31036740 0.67 TSHR (0.50) TSHRHTTPOLBHPGDKDM4E
SCHEMBL30705312 0.66 HPGD (0.40) POLBHPGDKDM4EALDH1A1SMN1; SMN2
SCHEMBL23457081 0.66 RAB9A (0.58) TSHRHTTPOLBHPGDKDM4E
SCHEMBL31682610 0.66 RAB9A (0.58) TSHRHTTPOLBHPGDKDM4E

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