SCHEMBL14965962

SCHEMBL14965962

CC(C)(C)N(C(=O)O)C(CO)CCC#Cc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
SLC1A5 Q15758 2/20 0.36
FFAR1 O14842 2/20 0.35
FFAR4 Q5NUL3 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTR2A P28223 1/20 0.35
AGTR2 P50052 2/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
TSHR P16473 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTT P42858 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP12 P39900 1/20 0.33

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
SCHEMBL14966043 0.81 KMT2A (0.35) GRIK1GRIK2SLC1A5FFAR1FFAR4
SCHEMBL5065706 0.76 KMT2A (0.47) GRIK1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL19357525 0.73 LMNA (0.45) MAPT
SCHEMBL19357526 0.73 LMNA (0.45) MAPT
SCHEMBL4064873 0.73 ALPI (0.43) ALDH1A1CYP1A2CYP3A4TSHRHTT
SCHEMBL18344466 0.73 ALPI (0.43) ALDH1A1CYP1A2CYP3A4TSHRHTT
SCHEMBL5066181 0.73 ALPI (0.43) ALDH1A1CYP1A2CYP3A4TSHRHTT
SCHEMBL10421321 0.72 LMNA (0.42) FFAR1HTR2AHTT
SCHEMBL10421320 0.72 LMNA (0.42) FFAR1HTR2AHTT
SCHEMBL16195856 0.71

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
EP-2780448-B1 BIOCATALYSTS FOR THE PREPARATION OF HYDROXY SUBSTITUTED CARBAMATES CODEXIS INC (US) 2019-09-11 EP claimed
EP-2780448-A1 BIOCATALYSTS FOR THE PREPARATION OF HYDROXY SUBSTITUTED CARBAMATES Codexis, Inc. (US) 2014-09-24 EP claimed
WO-2013074650-A1 BIOCATALYSTS FOR THE PREPARATION OF HYDROXY SUBSTITUTED CARBAMATES CODEXIS, INC. (US) 2013-05-23 WO claimed
EP-2780448-A1 BIOCATALYSTS FOR THE PREPARATION OF HYDROXY SUBSTITUTED CARBAMATES Codexis, Inc. (US) 2014-09-24 EP disclosed
WO-2013074650-A1 BIOCATALYSTS FOR THE PREPARATION OF HYDROXY SUBSTITUTED CARBAMATES CODEXIS, INC. (US) 2013-05-23 WO disclosed