SCHEMBL9540332

SCHEMBL9540332

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

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 4/20 0.47
EPHX1 P07099 1/20 0.46
ATM Q13315 1/20 0.46
HPGD P15428 2/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
ACHE P22303 7/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL8491330 1.00 CTSK (0.47) CTSKEPHX1ATMHPGDNPC1
SCHEMBL8364058 0.83 CTSK (0.45) CTSKEPHX1ATMHPGDNPC1
SCHEMBL9541732 0.83 CTSK (0.45) CTSKEPHX1ATMHPGDNPC1
SCHEMBL30314267 0.82 CTSK (0.57) CTSKEPHX1ATMHPGDACHE
SCHEMBL5703708 0.82 CTSK (0.57) CTSKEPHX1ATMHPGDACHE
SCHEMBL9425855 0.81 SMN1; SMN2 (0.41) CTSKATMSMN1; SMN2ALDH1A1
SCHEMBL8382659 0.81 EPHX1 (0.52) EPHX1ATMHPGDNPC1RAB9A
SCHEMBL7280943 0.80 CTSK (0.57) CTSKEPHX1ATMHPGDNPC1
SCHEMBL7040369 0.80 CTSK (0.57) CTSKEPHX1ATMHPGDNPC1
SCHEMBL8329646 0.80 CTSK (0.43) CTSKEPHX1ATMHPGDNPC1

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