SCHEMBL31036712

SCHEMBL31036712

O=C(CC1OC(=O)c2ccccc2S1)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERCC5 P28715 1/20 0.47
FEN1 P39748 1/20 0.47
AKR1C3 P42330 1/20 0.45
HDAC8 Q9BY41 1/20 0.41
RAB9A P51151 3/20 0.40
NPC1 O15118 3/20 0.40
FAAH O00519 1/20 0.40
PKM P14618 1/20 0.39
LMNA P02545 3/20 0.38
MAPK1 P28482 2/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TNKS O95271 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
SCHEMBL31036624 0.89 MAPK1 (0.48) LMNAMAPK1HTTTDP1L3MBTL1
SCHEMBL31036753 0.85 MAPT (0.41) RAB9ANPC1LMNAMAPK1HTT
SCHEMBL31036700 0.78 MAPT (0.56) HDAC8RAB9ANPC1LMNAMAPK1
SCHEMBL31036673 0.77 KDM4E (0.64) RAB9ANPC1LMNAMAPK1HTT
SCHEMBL31036644 0.76 MAPT (0.41) RAB9ANPC1PKMLMNAMAPK1
SCHEMBL31036724 0.76 SMN1; SMN2 (0.51) HDAC8RAB9ANPC1LMNAMAPK1
SCHEMBL31036760 0.76 HTT (0.46) RAB9ANPC1LMNAMAPK1HTT
SCHEMBL31036768 0.76 NPC1 (0.39) RAB9ANPC1LMNAMAPK1HTT
SCHEMBL31036675 0.75 GSK3B (0.41) LMNAMAPK1KDM4EMAPTHPGD
SCHEMBL31036777 0.74 CTNNB1 (0.46) HDAC8RAB9ANPC1LMNAMAPK1

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