SCHEMBL29197935

SCHEMBL29197935

C1CCCCCCCCC1.C1CCCCCCCCC1.C1CCCCCCCCC1.C=COC(=O)c1ccccc1C(=O)OC=C

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.50
TSHR P16473 8/20 0.41
ALDH1A1 P00352 8/20 0.40
HSD17B10 Q99714 2/20 0.40
NPC1 O15118 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 3/20 0.36
ALOX15 P16050 1/20 0.36
TP53 P04637 1/20 0.35
MAPK1 P28482 1/20 0.35
AKT1 P31749 1/20 0.34
CFTR P13569 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
SCHEMBL15175 0.94 CYP3A4 (0.55) CYP3A4TSHRALDH1A1HSD17B10NPC1
Ethylene SCHEMBL29113890 0.91 CYP3A4 (0.53) CYP3A4TSHRALDH1A1HSD17B10NPC1
SCHEMBL220576 0.86 ALDH1A1 (0.56) CYP3A4TSHRALDH1A1HSD17B10TDP1
Ammonia Solution, Strong SCHEMBL9015680 0.84 ALDH1A1 (0.54) CYP3A4TSHRALDH1A1HSD17B10TDP1
SCHEMBL29101463 0.84 ALDH1A1 (0.54) CYP3A4TSHRALDH1A1HSD17B10TDP1
Alcohol SCHEMBL1567009 0.84 TSHR (0.52) CYP3A4TSHRALDH1A1HSD17B10NPC1
Ammonia Solution, Strong SCHEMBL9015686 0.84 ALDH1A1 (0.54) CYP3A4TSHRALDH1A1HSD17B10TDP1
SCHEMBL11794205 0.84 TSHR (0.55) CYP3A4TSHRALDH1A1HSD17B10LMNA
SCHEMBL19506917 0.83 CYP3A4 (0.46) CYP3A4TSHRALDH1A1HSD17B10LMNA
SCHEMBL16523165 0.82 CYP3A4 (0.46) CYP3A4TSHRALDH1A1HSD17B10NPC1

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
CN-117624609-B Resin for automobile spraying vehicle coating, preparation method and application thereof 广州波粒新材料科技有限公司 2024-08-27 CN disclosed
CN-117624609-A Resin for automobile spraying vehicle coating, preparation method and application thereof 广州波粒新材料科技有限公司 2024-03-01 CN disclosed