SCHEMBL30901637

SCHEMBL30901637

CCOC(=O)C(C)=CC(N)Cc1ccc(-c2ccccc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SRR Q9GZT4 2/20 0.45
PSAT1 Q9Y617 2/20 0.45
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CTSH P09668 1/20 0.41
CYP2D6 P10635 1/20 0.41
CTSK P43235 1/20 0.41
CTSC P53634 1/20 0.41
PPARG P37231 8/20 0.41
PPARA Q07869 7/20 0.41
PPARD Q03181 2/20 0.41
DHODH Q02127 1/20 0.41
MMP12 P39900 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
DPP4 P27487 1/20 0.39
MMP8 P22894 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
SCHEMBL13489737 0.92 ALPI (0.46) MEN1KMT2AALDH1A1MAPTMMP8
SCHEMBL30441 0.84 SRR (0.48) SRRPSAT1CYP1A2CYP3A4CTSH
SCHEMBL2422931 0.84 SRR (0.48) SRRPSAT1CYP1A2CYP3A4CTSH
SCHEMBL30440 0.84 SRR (0.48) SRRPSAT1CYP1A2CYP3A4CTSH
SCHEMBL30439 0.84 SRR (0.48) SRRPSAT1CYP1A2CYP3A4CTSH
SCHEMBL24503296 0.84 SRR (0.48) SRRPSAT1CYP1A2CYP3A4CTSH
SCHEMBL28466723 0.84 SRR (0.48) SRRPSAT1CYP1A2CYP3A4CTSH
Hydrochloric Acid SCHEMBL29644 0.82 SRR (0.49) SRRPSAT1CYP1A2CYP3A4CTSH
Hydrochloric Acid SCHEMBL29645 0.82 SRR (0.49) SRRPSAT1CYP1A2CYP3A4CTSH
Hydrochloric Acid SCHEMBL29646 0.82 SRR (0.49) SRRPSAT1CYP1A2CYP3A4CTSH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118109529-A Method for biocatalytically synthesizing Sha Kuba- ([ 1,1' -biphenyl ] -4-yl) -4-amino-2-methyl ethyl valerate serving as Sha Kuba yeast intermediate 江苏海洋大学 2024-05-31 CN claimed
CN-121045029-A Preparation method of key intermediate of Sakuba/valsartan 广西天铭药业有限公司 2025-12-02 CN disclosed
CN-118516422-A Method for synthesizing Sha Kuba koji intermediate by biocatalysis 江苏海洋大学 2024-08-20 CN disclosed
CN-118291560-A Synthesis method of sabatier intermediate (2R, 4S) -5- ([ 1,1' -biphenyl ] -4-yl) -4- ((tert-butoxycarbonyl) amino) -2-methyl ethyl valerate 江苏德源药业股份有限公司 2024-07-05 CN disclosed
CN-118109529-A Method for biocatalytically synthesizing Sha Kuba- ([ 1,1' -biphenyl ] -4-yl) -4-amino-2-methyl ethyl valerate serving as Sha Kuba yeast intermediate 江苏海洋大学 2024-05-31 CN disclosed
CN-118109529-A Method for biocatalytically synthesizing Sha Kuba- ([ 1,1' -biphenyl ] -4-yl) -4-amino-2-methyl ethyl valerate serving as Sha Kuba yeast intermediate 江苏海洋大学 2024-05-31 CN disclosed
CN-118109528-A Method for biocatalytically synthesizing Sha Kuba- ([ 1,1' -biphenyl ] -4-yl) -4-amino-2-methyl pentanoic acid serving as Sha Kuba yeast intermediate 江苏海洋大学 2024-05-31 CN disclosed