SCHEMBL7767128

SCHEMBL7767128

C[C@@H](CO)N(C(=O)OC(C)(C)C)c1ccc(OC(=O)OC(C)(C)C)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ELANE P08246 4/20 0.49
KDM1A O60341 1/20 0.38
MAPKAPK2 P49137 2/20 0.34
SRD5A1 P18405 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CA2 P00918 1/20 0.33
RAB9A P51151 2/20 0.33
MMP13 P45452 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
OGA O60502 1/20 0.31

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
SCHEMBL20873175 0.85 NPSR1 (0.39) MEN1KMT2ANPSR1
SCHEMBL3288030 0.82 SMN1; SMN2 (0.43) MEN1KMT2A
SCHEMBL1134230 0.82 SMN1; SMN2 (0.43) MEN1KMT2A
SCHEMBL6832915 0.78 SMN1; SMN2 (0.40) MEN1KMT2ARAB9A
SCHEMBL4061370 0.74 ELANE (0.81) ELANEKDM1AMAPKAPK2MEN1KMT2A
SCHEMBL13645108 0.74 ELANE (0.64) ELANEKDM1AMAPKAPK2MEN1KMT2A
SCHEMBL1642844 0.73 CYP2B6 (0.41) NPSR1
SCHEMBL2171679 0.73 AAK1 (0.38) MEN1KMT2A
SCHEMBL7106522 0.71 ELANE (0.55) ELANEKDM1A
SCHEMBL4056333 0.70 ELANE (0.64) ELANEKDM1AMEN1KMT2ACA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0820438-B1 O-CARBAMOYL-PHENYLALANINOL HAVING SUBSTITUENT AT BENZENE RING, ITS PHARMACEUTICALLY USEFUL SALTS AND METHOD FOR PREPARING THE SAME SK CORP (KR) 2001-06-20 EP disclosed
US-6140532-A O-carbamoyl-phenylalaninol having substituent at benzene ring, its pharmaceutically useful salts and method for preparing the same SK CORPORATION (US) 2000-10-31 US disclosed