SCHEMBL25460630

SCHEMBL25460630

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(C)=O

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.77
TDP1 Q9NUW8 2/20 0.77
MAPT P10636 2/20 0.77
KDM4E B2RXH2 1/20 0.77
ALOX15 P16050 2/20 0.68
RECQL P46063 2/20 0.68
HSD17B10 Q99714 2/20 0.68
TSHR P16473 1/20 0.53
HCAR2 Q8TDS4 2/20 0.50
NFE2L2 Q16236 2/20 0.50
KEAP1 Q14145 1/20 0.50
PTGS1 P23219 2/20 0.47
NR1I2 O75469 2/20 0.34
PGR P06401 2/20 0.34
LMNA P02545 1/20 0.34
CYP26A1 O43174 2/20 0.32
ABCC4 O15439 1/20 0.31
ABCB11 O95342 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GFPT1 Q06210 1/20 0.31

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
SCHEMBL29378795 1.00 ALDH1A1 (0.77) ALDH1A1TDP1MAPTKDM4EALOX15
SCHEMBL30404058 0.94 ALDH1A1 (0.85) ALDH1A1TDP1MAPTKDM4EALOX15
Bixin SCHEMBL9939959 0.87 ALDH1A1 (1.00) ALDH1A1TDP1MAPTKDM4EALOX15
Bixin SCHEMBL29939591 0.87 ALDH1A1 (1.00) ALDH1A1TDP1MAPTKDM4EALOX15
Bixin SCHEMBL42729 0.87 ALDH1A1 (1.00) ALDH1A1TDP1MAPTKDM4EALOX15
Bixin SCHEMBL29959685 0.87 ALDH1A1 (1.00) ALDH1A1TDP1MAPTKDM4EALOX15
SCHEMBL1413208 0.81
SCHEMBL1413207 0.81
SCHEMBL7728489 0.81 NFE2L2 (0.77) ALDH1A1TDP1MAPTKDM4EALOX15
SCHEMBL7728484 0.81 NFE2L2 (0.77) ALDH1A1TDP1MAPTKDM4EALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230200430-A1 ORAL PRODUCTS WITH HIGH-DENSITY LOAD Nicoventures Trading Limited (GB) 2023-06-29 US disclosed
US-20230148652-A1 ORAL PRODUCTS WITH NICOTINE-POLYMER COMPLEX NICOVENTURES TRADING LTD (GB) 2023-05-18 US disclosed