SCHEMBL28779141

SCHEMBL28779141

COC(CCC(=O)O)Cc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPA3 P15088 2/20 0.57
KEAP1 Q14145 1/20 0.50
NAALAD2 Q9Y3Q0 2/20 0.49
MMP12 P39900 1/20 0.48
SLC15A1 P46059 1/20 0.47
FFAR1 O14842 2/20 0.47
LTA4H P09960 1/20 0.45
FOLH1 Q04609 1/20 0.44
CYP1A2 P05177 1/20 0.44
CPA1 P15085 2/20 0.43
CPB1 P15086 1/20 0.43
CPB2 Q96IY4 1/20 0.43
HDAC3 O15379 1/20 0.43
MAPK1 P28482 1/20 0.43
ADRA1A P35348 1/20 0.43
HDAC4 P56524 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HDAC1 Q13547 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43

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
SCHEMBL1114427 0.83 CPA3 (0.54) CPA3KEAP1NAALAD2MMP12SLC15A1
SCHEMBL29815484 0.81 FOLH1 (0.56) CPA3MMP12FOLH1
SCHEMBL28553556 0.80 TRPA1 (0.46) MMP12CYP1A2ADRA1ASLC6A3PPARG
SCHEMBL791591 0.79 TAAR1 (0.50) CYP1A2ADRA1ASLC6A3
SCHEMBL11775572 0.78 CTSK (0.46) HDAC3ADRA1AHDAC4SLC6A3HDAC1
SCHEMBL14402897 0.78 CTSK (0.46) HDAC3ADRA1AHDAC4SLC6A3HDAC1
SCHEMBL13948500 0.77 PPARG (0.47) CPA3MMP12CYP1A2CPA1CPB1
SCHEMBL5821138 0.77 CPA3 (0.62) CPA3KEAP1NAALAD2SLC15A1FFAR1
SCHEMBL12569402 0.77 ALDH1A1 (0.53) ADRA1ASLC6A3SMN1; SMN2
SCHEMBL3440803 0.77 CPA3 (0.62) CPA3KEAP1NAALAD2SLC15A1FFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114761497-A Photosensitive ink composition, cured product, display panel, and method for producing cured product 东京应化工业株式会社 2022-07-15 CN disclosed