SCHEMBL19973788

SCHEMBL19973788

[CH2]CCC=CCC=CCC=CCC=CCCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.38
TSHR P16473 1/20 0.36
PPARG P37231 3/20 0.34
PPARA Q07869 3/20 0.34
FFAR1 O14842 2/20 0.34
PPARD Q03181 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
USP2 O75604 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
HSPD1 P10809 1/20 0.34
CYP19A1 P11511 1/20 0.34
FABP4 P15090 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL19973785 1.00 TRPV1 (0.38) TRPV1TSHRPPARGPPARAFFAR1
SCHEMBL22553028 1.00 TRPV1 (0.38) TRPV1TSHRPPARGPPARAFFAR1
SCHEMBL22553027 1.00 TRPV1 (0.38) TRPV1TSHRPPARGPPARAFFAR1
SCHEMBL103467 0.91
SCHEMBL8018136 0.91
SCHEMBL453672 0.91
SCHEMBL9652371 0.88 TSHR (0.40) TSHRALDH1A1
SCHEMBL9652378 0.88 TSHR (0.40) TSHRALDH1A1
SCHEMBL11220605 0.88 TSHR (0.40) TSHRALDH1A1
SCHEMBL8567129 0.85 TRPV1 (0.46) TRPV1PPARGPPARAFFAR1PPARD

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-2018050794-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS BASF SE (DE) 2018-03-22 WO disclosed
WO-2018050795-A1 PROCESS FOR PREPARING OF CAROTENOID MONO-ESTERS 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
WO-2018050793-A1 PROCESS FOR PREPARING PHOSPHONIUM SALT ESTERS AS BUILDING BLOCKS FOR CAROTENOIDES BASF SE (DE) 2018-03-22 WO disclosed