SCHEMBL1463087

SCHEMBL1463087

COC(=O)/C=C/C=C(C)/C=C/C=C(C)/C=C\C=C(C)\C=C/C=C(C)\C=C/C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 1.00
ALOX15 P16050 3/20 1.00
RECQL P46063 3/20 1.00
HSD17B10 Q99714 3/20 1.00
MAPT P10636 6/20 0.89
TDP1 Q9NUW8 2/20 0.89
KDM4E B2RXH2 2/20 0.89
TSHR P16473 3/20 0.70
HCAR2 Q8TDS4 5/20 0.59
PTGS1 P23219 4/20 0.47
KEAP1 Q14145 1/20 0.44
NFE2L2 Q16236 1/20 0.44
PTPN1 P18031 1/20 0.40
ABCB11 O95342 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ABCC4 O15439 1/20 0.37
NR1I2 O75469 1/20 0.37
TP53 P04637 1/20 0.35
EGLN1 Q9GZT9 1/20 0.35
EGLN3 Q9H6Z9 1/20 0.35

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
SCHEMBL30873767 1.00 ALDH1A1 (1.00) ALDH1A1ALOX15RECQLHSD17B10MAPT
Bixin SCHEMBL9939959 0.94 ALDH1A1 (1.00) ALDH1A1ALOX15RECQLHSD17B10MAPT
Bixin SCHEMBL42729 0.94 ALDH1A1 (1.00) ALDH1A1ALOX15RECQLHSD17B10MAPT
Bixin SCHEMBL29939591 0.94 ALDH1A1 (1.00) ALDH1A1ALOX15RECQLHSD17B10MAPT
Bixin SCHEMBL29959685 0.94 ALDH1A1 (1.00) ALDH1A1ALOX15RECQLHSD17B10MAPT
SCHEMBL30404058 0.86 ALDH1A1 (0.85) ALDH1A1ALOX15RECQLHSD17B10MAPT
Bixin SCHEMBL3287610 0.85 ALDH1A1 (0.82) ALDH1A1ALOX15RECQLHSD17B10MAPT
Bixin SCHEMBL22344763 0.85 ALDH1A1 (0.82) ALDH1A1ALOX15RECQLHSD17B10MAPT
SCHEMBL23576251 0.83 ALDH1A1 (1.00) ALDH1A1ALOX15RECQLHSD17B10MAPT
SCHEMBL42367 0.83 ALDH1A1 (1.00) ALDH1A1ALOX15RECQLHSD17B10MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118937520-A Method for detecting natural pigment annatto in commercial milk tea by utilizing HPLC 浙江中医药大学 2024-11-12 CN disclosed
CN-102933210-A Agent for prolonging wake time MEIJI CO LTD 2013-02-13 CN disclosed
WO-2011118468-A1 WAKE-TIME-EXTENDING AGENT 株式会社明治 (JP) 2011-09-29 WO disclosed
WO-2011033884-A1 PROPHYLACTIC AGENT FOR MUSCULAR CONTRACTURE 明治乳業株式会社 (JP) 2011-03-24 WO disclosed