SCHEMBL9338561

SCHEMBL9338561

CCOC(=O)[C@H](NC(=O)c1ccccc1)C(C)O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.53
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.50
RAB9A P51151 2/20 0.50
ALDH1A1 P00352 1/20 0.50
NPSR1 Q6W5P4 1/20 0.49
PPARG P37231 1/20 0.48
PPARA Q07869 1/20 0.48
GAA P10253 1/20 0.48
POLB P06746 1/20 0.47
HPGD P15428 1/20 0.47
SLC1A2 P43004 1/20 0.46
CA2 P00918 2/20 0.46
PRSS1 P07477 1/20 0.46
CTSG P08311 1/20 0.46
CTRB1 P17538 1/20 0.46
CMA1 P23946 1/20 0.46
CA1 P00915 1/20 0.46
LMNA P02545 1/20 0.45

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
SCHEMBL27946160 1.00 NPC1 (0.53) NPC1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL26199701 1.00 NPC1 (0.53) NPC1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL9338571 1.00 NPC1 (0.53) NPC1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL9465077 0.89 POLB (0.57) NPC1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL9465072 0.89 POLB (0.57) NPC1MEN1KMT2ASMN1; SMN2RAB9A
SCHEMBL160178 0.86 GAA (0.54) KMT2ASMN1; SMN2RAB9AALDH1A1PPARG
SCHEMBL17283030 0.86 GAA (0.54) KMT2ASMN1; SMN2RAB9AALDH1A1PPARG
SCHEMBL1109091 0.86 GAA (0.54) KMT2ASMN1; SMN2RAB9AALDH1A1PPARG
SCHEMBL225433 0.86 GAA (0.54) KMT2ASMN1; SMN2RAB9AALDH1A1PPARG
SCHEMBL6231982 0.86 GAA (0.54) KMT2ASMN1; SMN2RAB9AALDH1A1PPARG

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
EP-0322236-B1 Catalytic process for preparing optically active threonine TAKASAGO PERFUMERY CO LTD (JP) 1994-05-04 EP disclosed
US-4906773-A Process for preparing optically active threonine TAKASAGO INTERNATIONAL CORPORATION (JP) 1990-03-06 US disclosed
EP-0322236-A2 Catalytic process for preparing optically active threonine Takasago International Corporation (JP) 1989-06-28 EP disclosed