SCHEMBL31036736

SCHEMBL31036736

Cc1ccc(S(=O)(=O)Oc2ccc(C(=O)CC3OC(=O)c4ccccc4S3)cc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 4/20 0.42
ENPP1 P22413 4/20 0.40
ENPP3 O14638 3/20 0.40
GAA P10253 1/20 0.40
ALDH1A1 P00352 5/20 0.39
LMNA P02545 1/20 0.39
PPARG P37231 1/20 0.39
VDR P11473 1/20 0.38
DHODH Q02127 1/20 0.38
HPGD P15428 2/20 0.37
MAPT P10636 2/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 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
SCHEMBL31036760 0.86 HTT (0.46) ALDH1A1LMNAHPGDMAPTTSHR
SCHEMBL31036700 0.81 MAPT (0.56) GAAALDH1A1LMNAHPGDMAPT
SCHEMBL31036753 0.77 MAPT (0.41) ALDH1A1LMNAHPGDMAPTTSHR
SCHEMBL31036768 0.75 NPC1 (0.39) LMNAHPGDMAPTTSHRMAPK1
SCHEMBL31036724 0.75 SMN1; SMN2 (0.51) GAAALDH1A1LMNAHPGDMAPT
SCHEMBL31036644 0.75 MAPT (0.41) GAAALDH1A1LMNAHPGDMAPT
SCHEMBL31036776 0.74 MEN1 (0.43) LMNAPPARGHPGDMAPTTSHR
SCHEMBL31036758 0.73 GSK3B (0.43) ALDH1A1MAPTMAPK1HTTMEN1
SCHEMBL31036675 0.72 GSK3B (0.41) LMNAHPGDMAPTTSHRMAPK1
SCHEMBL31036673 0.72 KDM4E (0.64) GAAALDH1A1LMNAHPGDMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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