SCHEMBL21763558

SCHEMBL21763558

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

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 4/20 0.40
RNPEP Q9H4A4 3/20 0.40
DNPEP Q9ULA0 3/20 0.40
SMN1; SMN2 Q16637 5/20 0.38
RAB9A P51151 3/20 0.38
GAA P10253 1/20 0.38
NPC1 O15118 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HSD17B10 Q99714 1/20 0.36
CNR1 P21554 2/20 0.35
CNR2 P34972 1/20 0.35
LMNA P02545 2/20 0.34
PKM P14618 1/20 0.34
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
HPGD P15428 1/20 0.33
MAPT P10636 1/20 0.32

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
SCHEMBL21696331 0.85 RAB9A (0.38) ANPEPRNPEPDNPEPSMN1; SMN2RAB9A
SCHEMBL24873174 0.84 ANPEP (0.37) ANPEPRNPEPDNPEPSMN1; SMN2RAB9A
SCHEMBL23734275 0.82 ANPEP (0.41) ANPEPRNPEPDNPEPSMN1; SMN2RAB9A
SCHEMBL23618234 0.80 CYP2D6 (0.46) GAAHSD17B10CNR1CNR2MMP8
SCHEMBL12015001 0.79 ANPEP (0.44) ANPEPRNPEPDNPEPSMN1; SMN2RAB9A
SCHEMBL24913301 0.79 CNR1 (0.40) ANPEPRNPEPDNPEPSMN1; SMN2RAB9A
SCHEMBL21946461 0.78 KDM4C (0.42) SMN1; SMN2GAACNR1MMP2MEN1
SCHEMBL12180236 0.78 CNR1 (0.44) SMN1; SMN2CNR1MEN1KMT2AMAPT
SCHEMBL21664380 0.76 CNR1 (0.31) CNR1CNR2
SCHEMBL17178022 0.76 ALDH1A1 (0.31) SMN1; SMN2CNR1MEN1KMT2A

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
US-20200064357-A1 METHODS FOR DETERMINING AND MONITORING GASTROINTESTINAL INFLAMMATION PROTAGONIST THERAPEUTICS, INC. 2020-02-27 US disclosed