SCHEMBL18944787

SCHEMBL18944787

CCCCC/C=C\C/C=C\CCCSC(CC)(CC)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.53
PPARG P37231 5/20 0.53
PPARD Q03181 4/20 0.53
PPARA Q07869 4/20 0.53
F7 P08709 4/20 0.53
F3 P13726 4/20 0.53
KDM4E B2RXH2 4/20 0.53
FFAR1 O14842 3/20 0.53
L3MBTL1 Q9Y468 2/20 0.53
LMNA P02545 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP19A1 P11511 2/20 0.53
FABP4 P15090 2/20 0.53
HPGD P15428 2/20 0.53
ALOX15 P16050 2/20 0.53
NR4A2 P43354 2/20 0.53
HSD17B10 Q99714 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
PTGS1 P23219 2/20 0.53
AKR1C3 P42330 2/20 0.53

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
SCHEMBL18944651 0.94 ALDH1A1 (0.53) ALDH1A1PPARGPPARDPPARAF7
SCHEMBL3423408 0.91 PPARG (0.50) ALDH1A1PPARGPPARDPPARAF7
SCHEMBL3423409 0.91 PPARG (0.50) ALDH1A1PPARGPPARDPPARAF7
SCHEMBL12357092 0.89 ALDH1A1 (0.51) ALDH1A1PPARGPPARDPPARAF7
SCHEMBL15808482 0.89 ALDH1A1 (0.51) ALDH1A1PPARGPPARDPPARAF7
SCHEMBL2254035 0.88 ALDH1A1 (0.51) ALDH1A1PPARGPPARDPPARAF7
SCHEMBL2254029 0.88 ALDH1A1 (0.51) ALDH1A1PPARGPPARDPPARAF7
SCHEMBL3424303 0.87 ALDH1A1 (0.54) ALDH1A1PPARGPPARDPPARAF7
SCHEMBL3424298 0.87 ALDH1A1 (0.54) ALDH1A1PPARGPPARDPPARAF7
SCHEMBL18944602 0.80 ALDH1A1 (0.54) ALDH1A1PPARGPPARDPPARAF7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017093732-A1 LIPID COMPOUNDS AND COMPOSITIONS AND THEIR OPTHALMIC USE BIOZEP AS (NO) 2017-06-08 WO disclosed