SCHEMBL8673237

SCHEMBL8673237

C=Cc1ccc(OC(C)=O)c(C)c1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
PTGS1 P23219 2/20 0.42
PTPN1 P18031 1/20 0.40
ALDH1A1 P00352 3/20 0.40
RAB9A P51151 2/20 0.40
KDM4E B2RXH2 2/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.39
CFD P00746 1/20 0.39
GBA1 P04062 1/20 0.38
SRD5A1 P18405 1/20 0.38
MAPK1 P28482 1/20 0.38
NR3C1 P04150 1/20 0.37
POLB P06746 1/20 0.37
LMNA P02545 1/20 0.37
NPC1 O15118 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ESR1 P03372 1/20 0.37
ITGB3 P05106 1/20 0.37

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
SCHEMBL28078759 0.90 MAPK1 (0.42) ACHEPTGS1PTPN1ALDH1A1RAB9A
SCHEMBL3248320 0.84 ACHE (0.54) ACHEPTGS1PTPN1ALDH1A1RAB9A
SCHEMBL12587484 0.84 ACHE (0.45) ACHEPTGS1PTPN1ALDH1A1RAB9A
SCHEMBL12723861 0.82 ACHE (0.57) ACHEPTGS1PTPN1ALDH1A1RAB9A
SCHEMBL9426682 0.82 MAPK1 (0.45) PTGS1PTPN1ALDH1A1RAB9AKDM4E
SCHEMBL27687896 0.79 PTGS1 (0.47) PTGS1ALDH1A1RAB9ATSHRGAA
SCHEMBL7711965 0.77 PTGS1 (0.41) PTGS1ALDH1A1RAB9AKDM4ETSHR
SCHEMBL9148761 0.77 CFD (0.41) PTGS1ALDH1A1RAB9AKDM4ETSHR
SCHEMBL1088271 0.76 HTT (0.47) PTGS1ALDH1A1RAB9AKDM4ETSHR
SCHEMBL23641343 0.76 ACHE (0.47) ACHEPTGS1PTPN1ALDH1A1RAB9A

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
US-5807947-A BINDER FOR PHOTORESISTS CLARIANT FINANCE (BVI) LIMITED (VG) 1998-09-15 US disclosed
US-4933495-A Process for the production of 3-mono or 3,5 dihalogenated 4-acetoxystyrene, its polymerization, and hydrolysis HOECHST CELANESE CORPORATION (US) 1990-06-12 US disclosed
US-4868257-A Process for the production of 3-mono or 3,5 disubstituted-4-acetoxystyrene, its polymerization HOECHST CELANESE CORPORATION (US) 1989-09-19 US disclosed
US-4868256-A Process for the production of 3-mono or 3,5-disubstituted-4-acetoxystyrene its polymerization, and hydrolysis HOECHST CELANESE (US) 1989-09-19 US disclosed