SCHEMBL31036638

SCHEMBL31036638

O=C1OC(CC(=O)C2CC2)Sc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.38
HPGD P15428 2/20 0.38
TSHR P16473 2/20 0.38
MAPK1 P28482 1/20 0.38
LMNA P02545 3/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
IDO1 P14902 2/20 0.33
TDO2 P48775 1/20 0.33
ALDH1A1 P00352 3/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 2/20 0.32
GAA P10253 1/20 0.32
SIGMAR1 Q99720 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
SCHEMBL31174549 0.93 LMNA (0.41) MAPTHPGDTSHRMAPK1LMNA
SCHEMBL31036699 0.80 LMNA (0.33) MAPTHPGDTSHRMAPK1LMNA
SCHEMBL31036753 0.78 MAPT (0.41) MAPTHPGDTSHRMAPK1LMNA
SCHEMBL31036715 0.74 APP (0.41) MAPTHPGDTSHRMAPK1LMNA
SCHEMBL31036724 0.74 SMN1; SMN2 (0.51) MAPTHPGDTSHRMAPK1LMNA
SCHEMBL31036644 0.74 MAPT (0.41) MAPTHPGDTSHRMAPK1LMNA
SCHEMBL31036768 0.74 NPC1 (0.39) MAPTHPGDTSHRMAPK1LMNA
SCHEMBL31036760 0.74 HTT (0.46) MAPTHPGDTSHRMAPK1LMNA
SCHEMBL31036770 0.74 HPGD (0.36) MAPTHPGDTSHRMAPK1LMNA
SCHEMBL31036675 0.71 GSK3B (0.41) MAPTHPGDTSHRMAPK1LMNA

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