SCHEMBL5188232

SCHEMBL5188232

CCCC/C=C(\O)OC(=O)Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EP300 Q09472 1/20 0.42
GRIK1 P39086 1/20 0.39
F7 P08709 2/20 0.37
F3 P13726 2/20 0.37
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 2/20 0.34
TERT O14746 3/20 0.33
PTPN1 P18031 3/20 0.33
MAPT P10636 2/20 0.33
BLM P54132 2/20 0.33
HSD17B10 Q99714 2/20 0.33
FABP4 P15090 2/20 0.33
PPARG P37231 2/20 0.33
PPARD Q03181 2/20 0.33
PPARA Q07869 2/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL29012038 0.83 EP300 (0.41) EP300GRIK1F7F3ALDH1A1
SCHEMBL75520 0.83 EP300 (0.41) EP300GRIK1F7F3ALDH1A1
SCHEMBL28597891 0.76 F7 (0.50) F7F3ALDH1A1TP53TERT
SCHEMBL13387035 0.76 TSHR (0.44) EP300GRIK1F7F3ALDH1A1
SCHEMBL28984168 0.74 EP300 (0.55) EP300F7F3TERTPTPN1
SCHEMBL503777 0.74 EP300 (0.54) EP300F7F3TSHRTERT
SCHEMBL28501671 0.74 EP300 (0.54) EP300F7F3TSHRTERT
SCHEMBL1447197 0.72 EP300 (0.52) EP300GRIK1F7F3ALDH1A1
SCHEMBL16969731 0.71
SCHEMBL16969726 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1760067-A2 Compounds with protected hydroxy groups Givaudan SA (CH) 2007-03-07 EP disclosed
US-6627763-B2 As precursors for organoleptic agents, such as fragrances, and masking agents and for antimicrobial agents GIVAUDAN SA 2003-09-30 US disclosed
US-20020193269-A1 Compounds having protected hydroxy groups GIVAUDAN SA, A SWITZERLAND CORPORATION 2002-12-19 US disclosed
US-6479682-B1 Compounds having protected hydroxy groups GIVAUDAN SA (CH) 2002-11-12 US disclosed
US-6437150-B1 WHEN ACTIVATED, THE ESTERS, CARBONATES, OR CARBAMATES ARE CLEAVED TO FORM ONE OR MORE LACTONES AND ORGANOLEPTICS SUCH AS FRAGRANCES, OR MASKING AGENTS, OR ANTIMICROBIAL AGENTS; STABLE UNDER TRANSPORT AND STORAGE CONDITIONS GIVAUDAN SA (CH) 2002-08-20 US disclosed
EP-0952142-A1 Compounds with protected hydroxy groups Givaudan Roure (International) S.A. (CH) 1999-10-27 EP disclosed