SCHEMBL5188229

SCHEMBL5188229

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 5/20 0.42
F3 P13726 5/20 0.42
PPARG P37231 5/20 0.40
ALDH1A1 P00352 5/20 0.40
PPARD Q03181 4/20 0.40
PPARA Q07869 4/20 0.40
FFAR1 O14842 3/20 0.40
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP19A1 P11511 2/20 0.40
FABP4 P15090 2/20 0.40
HPGD P15428 2/20 0.40
ALOX15 P16050 2/20 0.40
NR4A2 P43354 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
PTGS1 P23219 2/20 0.40
AKR1C3 P42330 2/20 0.40

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
SCHEMBL15412350 1.00 F7 (0.42) F7F3PPARGALDH1A1PPARD
SCHEMBL15412351 1.00 F7 (0.42) F7F3PPARGALDH1A1PPARD
SCHEMBL15412664 0.92 ALDH1A1 (0.49) F7F3PPARGALDH1A1PPARD
SCHEMBL15412663 0.92 ALDH1A1 (0.49) F7F3PPARGALDH1A1PPARD
SCHEMBL2936006 0.83 F7 (0.45) F7F3PPARGALDH1A1PPARD
SCHEMBL6972270 0.81 F7 (0.48) F7F3PPARGALDH1A1PPARD
SCHEMBL6972257 0.81 F7 (0.44) F7F3PPARGALDH1A1PPARD
SCHEMBL309926 0.81 F7 (0.44) F7F3PPARGALDH1A1PPARD
SCHEMBL1551741 0.81 F7 (0.44) F7F3PPARGALDH1A1PPARD
SCHEMBL6972264 0.81 F7 (0.44) F7F3PPARGALDH1A1PPARD

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