SCHEMBL28075985

SCHEMBL28075985

CCCCCC(C)(C(=O)O)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
KIF11 P52732 1/20 0.42
CES2 O00748 3/20 0.42
CES1 P23141 3/20 0.42
SCN5A Q14524 3/20 0.41
SCN9A Q15858 3/20 0.41
NAAA Q02083 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 2/20 0.40
HTT P42858 1/20 0.40
ALDH1A1 P00352 1/20 0.40
DRD2 P14416 1/20 0.39
OPRM1 P35372 1/20 0.39
DRD3 P35462 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
EGFR P00533 1/20 0.39

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
SCHEMBL28727534 0.98 GAA (0.44) GAACYP2C19HIF1AKIF11CES2
SCHEMBL28729149 0.98 GAA (0.44) GAACYP2C19HIF1AKIF11CES2
SCHEMBL29456136 0.98 GAA (0.44) GAACYP2C19HIF1AKIF11CES2
SCHEMBL6344599 0.98 GAA (0.44) GAACYP2C19HIF1AKIF11CES2
SCHEMBL29456058 0.98 GAA (0.44) GAACYP2C19HIF1AKIF11CES2
SCHEMBL3242856 0.98 GAA (0.44) GAACYP2C19HIF1AKIF11CES2
SCHEMBL28729541 0.97 GAA (0.43) GAACYP2C19HIF1AKIF11CES2
SCHEMBL28727565 0.97 GAA (0.43) GAACYP2C19HIF1AKIF11CES2
SCHEMBL28727437 0.97 GAA (0.43) GAACYP2C19HIF1AKIF11CES2
SCHEMBL28727625 0.97 GAA (0.43) GAACYP2C19HIF1AKIF11CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119258060-A Application of autophagy inducer in preparation of anti-skin sensitization drugs 深圳市药品检验研究院(深圳市医疗器械检测中心) 2025-01-07 CN claimed
CN-106397348-A Synthesis method of cis-4-(2-methyl-3-p-tert-amyl phenyl propionyl)-2,6-dimethylmorpholine 厦门莱恩斯特信息科技有限公司 2017-02-15 CN claimed
CN-105732534-A Synthetic method for cis-4-(2-methyl-3-p-tertiary-amyl-phenylpropionyl)-2,6-dimethylmorpholine 成都中恒华铁科技有限公司 2016-07-06 CN claimed
CN-120005686-A Composition comprising lipase and sulfite 诺维信公司 2025-05-16 CN disclosed
CN-110651038-B Composition comprising lipase and sulfite 诺维信公司 2025-02-18 CN disclosed
CN-119322142-A Method for detecting sensitization of cosmetics containing hexyl cinnamaldehyde 深圳市药品检验研究院(深圳市医疗器械检测中心) 2025-01-17 CN disclosed
CN-119258060-A Application of autophagy inducer in preparation of anti-skin sensitization drugs 深圳市药品检验研究院(深圳市医疗器械检测中心) 2025-01-07 CN disclosed
CN-114292829-A Lipase variants and polynucleotides encoding same 诺维信公司 2022-04-08 CN disclosed
CN-107969136-B Lipase variants and polynucleotides encoding same 诺维信公司 2021-12-21 CN disclosed
CN-107353194-B Preparation method of propiolic acid compound 大连理工大学 2020-04-14 CN disclosed
CN-110651038-A Composition comprising lipase and sulfite 诺维信公司 2020-01-03 CN disclosed
CN-106397348-A Synthesis method of cis-4-(2-methyl-3-p-tert-amyl phenyl propionyl)-2,6-dimethylmorpholine 厦门莱恩斯特信息科技有限公司 2017-02-15 CN disclosed
CN-105732534-A Synthetic method for cis-4-(2-methyl-3-p-tertiary-amyl-phenylpropionyl)-2,6-dimethylmorpholine 成都中恒华铁科技有限公司 2016-07-06 CN disclosed