SCHEMBL9541732

SCHEMBL9541732

CCCCOC(=O)N[C@H](C=O)C(C)C

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.45
HPGD P15428 2/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
EPHX1 P07099 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
ATM Q13315 1/20 0.43
ACHE P22303 7/20 0.42
ALDH1A1 P00352 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL8364058 1.00 CTSK (0.45) CTSKHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL8329646 0.87 CTSK (0.43) CTSKHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL8329649 0.87 CTSK (0.43) CTSKHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL8491330 0.83 CTSK (0.47) CTSKHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9540332 0.83 CTSK (0.47) CTSKHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL1999310 0.82 SMN1; SMN2 (0.40) CTSKSMN1; SMN2ATMALDH1A1
SCHEMBL1995121 0.82 SMN1; SMN2 (0.40) CTSKSMN1; SMN2ATMALDH1A1
SCHEMBL30314267 0.79 CTSK (0.57) CTSKHPGDEPHX1ATMACHE
SCHEMBL5703708 0.79 CTSK (0.57) CTSKHPGDEPHX1ATMACHE
SCHEMBL19622782 0.79 ACHE (0.38) CTSKACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1993012076-A1 REAGENTS FOR AUTOMATED SYNTHESIS OF PEPTIDE ANALOGS CORVAS INTERNATIONAL INC. (US) 1993-06-24 WO disclosed