SCHEMBL31036715

SCHEMBL31036715

O=C(CCc1ccccc1)CC1OC(=O)c2ccccc2S1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.41
KEAP1 Q14145 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TRPA1 O75762 1/20 0.38
ALDH1A1 P00352 1/20 0.37
FFAR1 O14842 1/20 0.37
HDAC1 Q13547 1/20 0.37
MAPT P10636 2/20 0.36
HPGD P15428 1/20 0.36
TSHR P16473 1/20 0.36
MAPK1 P28482 1/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 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
SCHEMBL31036753 0.78 MAPT (0.41) TDP1L3MBTL1TRPA1ALDH1A1MAPT
SCHEMBL31036638 0.74 MAPT (0.38) ALDH1A1MAPTHPGDTSHRMAPK1
SCHEMBL31036760 0.71 HTT (0.46) BCHETDP1L3MBTL1ALDH1A1MAPT
SCHEMBL31174549 0.71 LMNA (0.41) HDAC2BCHEHDAC1MAPTHPGD
SCHEMBL31036724 0.71 SMN1; SMN2 (0.51) HDAC2HDAC8HDAC6BCHEALDH1A1
SCHEMBL31036770 0.71 HPGD (0.36) L3MBTL1ALDH1A1MAPTHPGDTSHR
SCHEMBL31036644 0.71 MAPT (0.41) L3MBTL1ALDH1A1MAPTHPGDTSHR
SCHEMBL31036768 0.71 NPC1 (0.39) MAPTHPGDTSHRMAPK1KDM4E
SCHEMBL31036675 0.68 GSK3B (0.41) MAPTHPGDTSHRMAPK1KDM4E
SCHEMBL31036700 0.68 MAPT (0.56) HDAC2HDAC8HDAC6L3MBTL1ALDH1A1

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