SCHEMBL28552014

SCHEMBL28552014

C=CCCc1ccccc1S

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.37
USP2 O75604 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
ACHE P22303 1/20 0.30

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
SCHEMBL5370465 0.88 TLR8 (0.49) TLR8USP2ALDH1A1HPGDTDP1
SCHEMBL4394026 0.78 MAPT (0.31)
SCHEMBL5174795 0.78 IDO1 (0.36)
SCHEMBL170049 0.77 GABRA1 (0.47) ALDH1A1TDP1GABRA1GABRB2
SCHEMBL31201870 0.77 GABRA1 (0.47) ALDH1A1TDP1GABRA1GABRB2
SCHEMBL28973499 0.76 GABRA1 (0.45) ALDH1A1TDP1GABRA1GABRB2
SCHEMBL28194954 0.76 GABRA1 (0.45) ALDH1A1TDP1GABRA1GABRB2
SCHEMBL11186151 0.76 TLR8 (0.34) TLR8USP2ALDH1A1HPGDTDP1
SCHEMBL29891134 0.75 CYP1A2 (0.48) ALDH1A1HPGDTDP1
SCHEMBL5516425 0.75 CYP1A2 (0.48) ALDH1A1HPGDTDP1

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-117529306-A Nicotinamide Adenine Dinucleotide (NAD) compositions, methods of making and methods of using the same 索维达解决方案有限公司 2024-02-06 CN disclosed
CN-117479945-A Large conductance potassium channel modulators, compositions thereof, methods of making and methods of using the same 依那拉治疗股份有限公司 2024-01-30 CN disclosed
CN-107613954-B Synergistic compositions of dehydroacetic acid and methods of reducing yellowing in various end-use compositions ISP投资有限公司 2021-10-19 CN disclosed
CN-108472617-B Microcapsules comprising a polyester-urethane shell and a hydrophilic core material 巴斯夫欧洲公司 2021-09-14 CN disclosed
CN-108472616-B Microcapsules comprising a polyester-urethane shell and a hydrophobic core material 巴斯夫欧洲公司 2021-04-13 CN disclosed