SCHEMBL4624708

SCHEMBL4624708

CCCOc1cc(C2OCC(C)(C)CO2)ccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
RAB9A P51151 1/20 0.43
GAA P10253 7/20 0.41
ALOX5 P09917 1/20 0.39
PTPN1 P18031 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
ATM Q13315 1/20 0.37
STK17B O94768 1/20 0.36
KDM4E B2RXH2 2/20 0.36
CYP3A4 P08684 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
AR P10275 1/20 0.35
MAPT P10636 1/20 0.35
THRB P10828 1/20 0.35
KMT2A Q03164 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
ESR1 P03372 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
SCHEMBL14323699 0.89 GAA (0.52) NPC1SMN1; SMN2RAB9AGAAATM
SCHEMBL4623926 0.78 PDE4A (0.40) NPC1RAB9AKDM4EALDH1A1
SCHEMBL3699162 0.75 GAA (0.53) NPC1SMN1; SMN2RAB9AGAAALOX5
SCHEMBL14322565 0.72 GAA (0.51) NPC1SMN1; SMN2RAB9AGAAALOX5
SCHEMBL28638326 0.72 PPARG (0.52) ALOX5PTPN1PPARGPPARDCYP3A4
SCHEMBL10495514 0.72 PPARG (0.59) GAAALOX5PTPN1PPARGPPARD
SCHEMBL29682746 0.72 PPARG (0.59) GAAALOX5PTPN1PPARGPPARD
SCHEMBL31546026 0.70 GAA (0.55) NPC1SMN1; SMN2GAAKDM4ECYP3A4
SCHEMBL6450302 0.70 ACMSD (0.51) NPC1SMN1; SMN2RAB9AGAAALOX5
SCHEMBL14323092 0.69 GAA (0.48) NPC1SMN1; SMN2RAB9AGAAATM

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
EP-0860455-B1 Photocrosslinkable polymers ROLIC AG (CH) 2008-06-04 EP disclosed
US-6632909-B2 Alkylenedi- acrylates and acrylamides containing phenyl groups substituted with at least two alkoxy or fluoroalkoxy groups; use in orientation layers for liquid crystals, and in optical components, in particular hybrid layer elements. ROLIC AG (CH) 2003-10-14 US disclosed
US-20020061996-A1 Photocrosslinkable polymers BUCHECKER RICHARD (CH) 2002-05-23 US disclosed
EP-0860455-A2 Photocrosslinkable polymers Rolic AG (CH) 1998-08-26 EP disclosed