SCHEMBL31036768

SCHEMBL31036768

O=C(CC1OC(=O)c2ccccc2S1)c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.39
RAB9A P51151 4/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA9 Q16790 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
PTPN1 P18031 1/20 0.37
IDO1 P14902 1/20 0.37
HTR7 P34969 1/20 0.37
MAPT P10636 3/20 0.37
HPGD P15428 2/20 0.37
MEN1 O00255 1/20 0.37
ALOX12 P18054 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD11B1 P28845 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 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 0.89 MAPT (0.41) NPC1RAB9ASMN1; SMN2PTPN1IDO1
SCHEMBL31036644 0.87 MAPT (0.41) NPC1RAB9ASMN1; SMN2IDO1MAPT
SCHEMBL31036760 0.87 HTT (0.46) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL31036724 0.87 SMN1; SMN2 (0.51) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL31036675 0.84 GSK3B (0.41) CA12CA1CA9SMN1; SMN2MAPT
SCHEMBL31036700 0.84 MAPT (0.56) NPC1RAB9AMAPTHPGDHTT
SCHEMBL31036758 0.83 GSK3B (0.43) NPC1RAB9AMAPTMEN1HTT
SCHEMBL31036776 0.79 MEN1 (0.43) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL31036673 0.78 KDM4E (0.64) NPC1RAB9ASMN1; SMN2MAPTHPGD
SCHEMBL31036770 0.76 HPGD (0.36) NPC1SMN1; SMN2MAPTHPGDMEN1

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 4 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-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 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