SCHEMBL29467263

SCHEMBL29467263

O=C1CCCCC(=O)OCc2ccccc2CO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.50
MAOB P27338 2/20 0.50
CA1 P00915 1/20 0.46
CA9 Q16790 1/20 0.46
TSHR P16473 2/20 0.46
CYP2A6 P11509 2/20 0.39
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 1/20 0.38
TYMS P04818 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CES1 P23141 1/20 0.38
LMNA P02545 2/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 3/20 0.36
HSD17B3 P37058 1/20 0.36
RAB9A P51151 1/20 0.36
GAA P10253 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
SCHEMBL29477917 0.98 MAOA (0.48) MAOAMAOBCA1CA9TSHR
SCHEMBL29736194 0.81 MAOA (0.54) MAOAMAOBCYP2A6ALDH1A1CYP1A2
SCHEMBL724064 0.79 MAOA (0.52) MAOAMAOBCYP2A6ALDH1A1CYP1A2
SCHEMBL28603304 0.78 MAOA (0.68) MAOAMAOBCYP2A6ALDH1A1CYP1A2
SCHEMBL10365386 0.76 CA1 (0.50) CA1CA9TSHRALDH1A1LMNA
SCHEMBL11205483 0.75 MAOA (0.58) MAOAMAOBTSHRCYP2A6ALDH1A1
SCHEMBL28461740 0.74 CA1 (0.48) CA1CA9TSHRALDH1A1LMNA
SCHEMBL10364956 0.74 CA1 (0.48) CA1CA9TSHRALDH1A1LMNA
SCHEMBL28584895 0.74 CA1 (0.43) CA1CA9TSHRALDH1A1LMNA
SCHEMBL5045846 0.73 MAOA (0.50) MAOAMAOBTSHRALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114316532-A PET injection molding grade thick material, preparation method thereof and refrigerator 海信(山东)冰箱有限公司 2022-04-12 CN claimed
CN-114316532-A PET injection molding grade thick material, preparation method thereof and refrigerator 海信(山东)冰箱有限公司 2022-04-12 CN disclosed
CN-114316532-A PET injection molding grade thick material, preparation method thereof and refrigerator 海信(山东)冰箱有限公司 2022-04-12 CN disclosed