SCHEMBL10274166

SCHEMBL10274166

CNC1CCCC(NC(=O)O)C1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.41
EPHX1 P07099 6/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
EPHX2 P34913 2/20 0.37
MAPT P10636 1/20 0.37
CYP3A4 P08684 1/20 0.37
GRM5 P41594 4/20 0.37
MMP2 P08253 1/20 0.36
MMP8 P22894 1/20 0.36
GRIN1 Q05586 1/20 0.35
GRIN2B Q13224 1/20 0.35

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
SCHEMBL765446 0.91 POLB (0.34) BTKEPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL22042675 0.91 POLB (0.34) BTKEPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL5433248 0.89 EPHX1 (0.44) BTKEPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL5433253 0.89 EPHX1 (0.44) BTKEPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL5433245 0.89 EPHX1 (0.44) BTKEPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL17504487 0.89 EPHX1 (0.44) BTKEPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL14922428 0.83 ALDH1A1 (0.53) BTKEPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL18502884 0.83 ALDH1A1 (0.53) BTKEPHX1NPC1RAB9ASMN1; SMN2
SCHEMBL15970269 0.82 ATM (0.34) KDM4EALDH1A1
SCHEMBL15970268 0.82 ATM (0.34) KDM4EALDH1A1

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-1439174-B1 4-IMIDAZOLIN-2-ONE COMPOUNDS AS p38 MAP KINASE INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2012-03-21 EP disclosed