SCHEMBL11228360

SCHEMBL11228360

O=C(NC1CCCCC1)N(C(=O)C1CCCCC1)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 6/20 0.45
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
RAB9A P51151 3/20 0.45
MAPT P10636 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
CYP3A4 P08684 1/20 0.45
EPHX2 P34913 1/20 0.45
HTT P42858 1/20 0.42
ADRA2A P08913 1/20 0.41
PDE4A P27815 1/20 0.41
ADRA1A P35348 1/20 0.41
PKM P14618 1/20 0.41
SRD5A2 P31213 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
KMT2A Q03164 1/20 0.39
MMP2 P08253 3/20 0.39
CA12 O43570 2/20 0.39

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
SCHEMBL6684532 0.81 EPHX1 (0.48) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL27460412 0.79 EPHX1 (0.45) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL3073114 0.77 EPHX1 (0.44) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL30151503 0.76 ALDH1A1 (0.46) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL31174196 0.76 EPHX1 (0.42) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL9547549 0.75 EPHX1 (0.54) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL29087524 0.73 ADRA2A (0.41) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL3083216 0.73 CES2 (0.41) EPHX1SMN1; SMN2ALDH1A1
SCHEMBL11377433 0.72 ADRA2A (0.40) EPHX1NPC1SMN1; SMN2RAB9AMAPT
SCHEMBL9538240 0.72 EPHX1 (0.50) EPHX1NPC1SMN1; SMN2RAB9AMAPT

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-4318924-A Combating bacteria with N-cycloalkyl-N'-substituted-N'-acyl-ureas BAYER AKTIENGESELLSCHAFT (DE) 1982-03-09 US claimed