SCHEMBL31036770

SCHEMBL31036770

O=C(CC1OC(=O)c2ccccc2S1)c1ccccc1Br

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.36
MAPT P10636 2/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
ALDH1A1 P00352 5/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 3/20 0.33
POLB P06746 2/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
P2RX7 Q99572 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL31036740 0.83 TSHR (0.50) HPGDMAPTTSHRMAPK1ALDH1A1
SCHEMBL31036724 0.82 SMN1; SMN2 (0.51) HPGDMAPTTSHRMAPK1ALDH1A1
SCHEMBL31036648 0.81 MAPT (0.39) MAPTTSHRMAPK1ALDH1A1SMN1; SMN2
SCHEMBL31036753 0.81 MAPT (0.41) HPGDMAPTTSHRMAPK1ALDH1A1
SCHEMBL31036644 0.76 MAPT (0.41) HPGDMAPTTSHRMAPK1ALDH1A1
SCHEMBL31036760 0.76 HTT (0.46) HPGDMAPTTSHRMAPK1ALDH1A1
SCHEMBL31036768 0.76 NPC1 (0.39) HPGDMAPTTSHRMAPK1SMN1; SMN2
SCHEMBL31036638 0.74 MAPT (0.38) HPGDMAPTTSHRMAPK1ALDH1A1
SCHEMBL31036675 0.73 GSK3B (0.41) HPGDMAPTTSHRMAPK1SMN1; SMN2
SCHEMBL31036700 0.73 MAPT (0.56) HPGDMAPTTSHRMAPK1ALDH1A1

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