SCHEMBL19974261

SCHEMBL19974261

[CH2]C=CCCCC=CCC=CCC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
CYP19A1 P11511 4/20 0.50
F7 P08709 3/20 0.50
F3 P13726 3/20 0.50
PPARG P37231 3/20 0.50
OXER1 Q8TDS5 3/20 0.50
PPARA Q07869 3/20 0.50
PTGS1 P23219 3/20 0.50
KMT2A Q03164 2/20 0.50
PPARD Q03181 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
RXRA P19793 2/20 0.50
MAPT P10636 3/20 0.47
NR1I2 O75469 2/20 0.47
PTGS2 P35354 2/20 0.47
FFAR1 O14842 2/20 0.47
CYP3A4 P08684 2/20 0.47
ALOX15 P16050 2/20 0.47
HSD17B10 Q99714 2/20 0.47
TDP1 Q9NUW8 2/20 0.47

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
SCHEMBL19974257 1.00 ALDH1A1 (0.50) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL19974079 0.93 ALDH1A1 (0.55) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL19974078 0.93 ALDH1A1 (0.55) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL146047 0.93 ALDH1A1 (0.40) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL146046 0.93 ALDH1A1 (0.40) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL17798935 0.90 ALDH1A1 (0.46) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL19974211 0.90 ALDH1A1 (0.46) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL19974209 0.90 ALDH1A1 (0.46) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL22553014 0.87 ALDH1A1 (0.42) ALDH1A1CYP19A1F7F3PPARG
SCHEMBL22553015 0.87 ALDH1A1 (0.42) ALDH1A1CYP19A1F7F3PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109715605-B Process for preparing carotenoid monoesters 巴斯夫欧洲公司 2022-04-12 CN disclosed
WO-2018050795-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050794-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050793-A1 PROCESS FOR PREPARING PHOSPHONIUM SALT ESTERS AS BUILDING BLOCKS FOR CAROTENOIDES BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050792-A1 PROCESS FOR PREPARING ESTERS OF 12'-APOCAROTENALS AS BUILDING BLOCKS FOR CAROTENOIDS BASF SE (DE) 2018-03-22 WO disclosed