SCHEMBL21696331

SCHEMBL21696331

CC(C)CCNC(=O)C(C)(C)CC(C)(C)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
NPC1 O15118 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ANPEP P15144 5/20 0.38
RNPEP Q9H4A4 4/20 0.38
DNPEP Q9ULA0 4/20 0.38
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.36
PKM P14618 1/20 0.36
HSD17B10 Q99714 1/20 0.35
HPGD P15428 1/20 0.34
LAP3 P28838 3/20 0.33
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CAPN9 O14815 1/20 0.33
CAPN1 P07384 1/20 0.33
CTSB P07858 1/20 0.33

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
SCHEMBL21763558 0.85 ANPEP (0.40) RAB9ASMN1; SMN2NPC1L3MBTL1ANPEP
SCHEMBL24873174 0.84 ANPEP (0.37) RAB9ASMN1; SMN2NPC1L3MBTL1ANPEP
SCHEMBL20144535 0.81 SMN1; SMN2 (0.41) SMN1; SMN2L3MBTL1GAALMNAHSD17B10
SCHEMBL20144622 0.79 KDM4C (0.48) L3MBTL1CNR1GAALMNA
SCHEMBL23734275 0.79 ANPEP (0.41) RAB9ASMN1; SMN2NPC1L3MBTL1ANPEP
SCHEMBL18461405 0.78 RIPK1 (0.32)
SCHEMBL20144634 0.78 GGT1 (0.33) HSD17B10HPGDACACBACACACYP2C19
SCHEMBL12015001 0.77 ANPEP (0.44) RAB9ASMN1; SMN2NPC1L3MBTL1ANPEP
SCHEMBL21696330 0.76 EPHX1 (0.46) CNR1
SCHEMBL24913301 0.76 CNR1 (0.40) RAB9ASMN1; SMN2NPC1L3MBTL1ANPEP

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
EP-3321279-B1 EXENATIDE MODIFIER AND USE THEREOF BRIGHTGENE BIO MEDICAL TECH CO LTD (CN) 2020-02-12 EP disclosed