SCHEMBL8555860

SCHEMBL8555860

COC(=O)c1ccc(C2C(O)[C@@]3(O)C(c4ccc(C(=O)OC)cc4)[C@@](O)([C@H](O)CO)[C@@]23O)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
ATM Q13315 1/20 0.36
MAPT P10636 3/20 0.35
CYP4A11 Q02928 2/20 0.35
TSHR P16473 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
CA12 O43570 1/20 0.35
CA7 P43166 1/20 0.35

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
SCHEMBL9792009 0.94 CYP4A11 (0.37) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL9792014 0.94 CA1 (0.45) NPC1SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL9792015 0.94 CA1 (0.45) NPC1SMN1; SMN2KDM4EALDH1A1MAPT
SCHEMBL9791984 0.88 CYP4F2 (0.41) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL9791976 0.86 SRD5A2 (0.31) TSHRMEN1KMT2A
SCHEMBL9791942 0.86 PLA2G1B (0.37) NPC1RAB9AALDH1A1MAPTTSHR
SCHEMBL9792019 0.86 ALDH1A1 (0.42) NPC1RAB9ASMN1; SMN2KDM4EALDH1A1
SCHEMBL8557024 0.86 ALK (0.32) ALDH1A1TSHRTDP1
SCHEMBL9791945 0.85 CYP4F2 (0.32) CYP4A11TSHRCYP4F2
SCHEMBL9791889 0.85 CYP4F2 (0.38) NPC1RAB9AKDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4112888-A None JP disclosed
EP-0507950-B1 PROCESS FOR PRODUCING DIACETALS NEW JAPAN CHEM CO LTD (JP) 1998-04-08 EP disclosed
EP-0581024-B1 Polyester compounds and organic gelling agents comprising same NEW JAPAN CHEM CO LTD (JP) 1997-04-02 EP disclosed
US-5356566-A Polyester compounds and organic gelling agents comprising same NEW JAPAN CHEMICAL CO., LTD. (JP) 1994-10-18 US disclosed
EP-0581024-A1 Polyester compounds and organic gelling agents comprising same NEW JAPAN CHEMICAL CO.,LTD. (JP) 1994-02-02 EP disclosed
EP-0507950-A1 PROCESS FOR PRODUCING DIACETAL NEW JAPAN CHEMICAL CO.,LTD. (JP) 1992-10-14 EP disclosed
JP-H04112888-A PRODUCTION OF DIACETALS NEW JAPAN CHEM CO LTD 1992-04-14 JP disclosed
US-4996334-A Dibenzylidenesorbitols for gelatinizing oils and liquids, increasing transparency and rigidity in resins, improving viscosity of coatings and stabilizing emulsions MITSUBISHI PETROCHEMICAL CO., LTD. (JP) 1991-02-26 US disclosed