SCHEMBL8771970

SCHEMBL8771970

C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCSc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.51
MTNR1B P49286 1/20 0.51
NPC1 O15118 4/20 0.47
RAB9A P51151 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
RECQL P46063 1/20 0.47
CTSS P25774 3/20 0.46
CTSK P43235 2/20 0.46
KMT2A Q03164 2/20 0.46
ATM Q13315 1/20 0.46
ALDH1A1 P00352 1/20 0.45
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
HPGD P15428 1/20 0.45
USP2 O75604 1/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
AKT1 P31749 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL8771960 0.88 CTSS (0.55) MTNR1AMTNR1BCTSSCTSKKMT2A
SCHEMBL7528860 0.84 MTNR1A (0.62) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL10421988 0.83 CTSS (0.43) CTSSCTSKCTSLCTSBAKT1
SCHEMBL10421991 0.83 CTSS (0.43) CTSSCTSKCTSLCTSBAKT1
SCHEMBL8771866 0.81 NPC1 (0.53) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL9228418 0.81 MTNR1A (0.45) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL9229164 0.80 SDCBP (0.48) MTNR1AMTNR1BNPC1RAB9ASMN1; SMN2
SCHEMBL31307415 0.80 PPARA (0.57) SMN1; SMN2CTSSCTSKKMT2AATM
SCHEMBL10490855 0.79 KMT2A (0.48) CTSSCTSKKMT2ACTSLCTSB
SCHEMBL12294700 0.79 KMT2A (0.60) CTSSCTSKKMT2AATM

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-0648740-B1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO (JP) 1997-10-08 EP disclosed
EP-0648740-A1 AMINO ACID AMIDE DERIVATIVE, AGROHORTICULTURAL BACTERICIDE, AND PRODUCTION PROCESS KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1995-04-19 EP disclosed