SCHEMBL16397156

SCHEMBL16397156

CCCCC(=O)N[C@H](C(=O)O)C(C)(C)S

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FAAH O00519 4/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPK1 P28482 1/20 0.44
NOD1 Q9Y239 3/20 0.44
PRSS1 P07477 1/20 0.41
CTSG P08311 1/20 0.41
CTRB1 P17538 1/20 0.41
CMA1 P23946 1/20 0.41
PLA2G2C Q5R387 1/20 0.41
ALDH1A1 P00352 2/20 0.40
DNM1 Q05193 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
MAPT P10636 1/20 0.40
SLC6A5 Q9Y345 1/20 0.40
PLA2G10 O15496 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CNR2 P34972 1/20 0.37

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
SCHEMBL30597580 0.91 FAAH (0.40) FAAHMEN1KMT2AMAPK1NOD1
SCHEMBL29511266 0.85 SLC6A5 (0.38) FAAHMEN1KMT2AMAPK1NOD1
SCHEMBL19721626 0.82 CYP2C9 (0.41) MEN1KMT2APRSS1CTSGCTRB1
SCHEMBL19284301 0.81 NOD1 (0.34) FAAHMEN1KMT2AMAPK1NOD1
SCHEMBL8515118 0.79 FAAH (0.58) FAAHMEN1KMT2AMAPK1NOD1
SCHEMBL31196416 0.79 ALOX15 (0.38) MAPK1NOD1PRSS1CTSGCTRB1
SCHEMBL13740844 0.79 PRSS1 (0.39) FAAHMEN1KMT2AMAPK1NOD1
SCHEMBL27603469 0.79 FAAH (0.37) FAAHMEN1KMT2AMAPK1NOD1
SCHEMBL2578665 0.79 FAAH (0.37) FAAHMEN1KMT2AMAPK1NOD1
SCHEMBL21691949 0.78 MAPT (0.39) ALDH1A1SMN1; SMN2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020167748-A1 THERAPEUTIC COMBINATIONS SUPERSALUS, INC. (US) 2020-08-20 WO claimed
WO-2014197847-A1 METHODS AND SYSTEMS OF TREATING WOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-12-11 WO claimed
WO-2014197847-A1 METHODS AND SYSTEMS OF TREATING WOUNDS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-12-11 WO disclosed