SCHEMBL27460412

SCHEMBL27460412

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.45
NPC1 O15118 5/20 0.45
SMN1; SMN2 Q16637 5/20 0.45
RAB9A P51151 3/20 0.45
ALDH1A1 P00352 2/20 0.45
MAPT P10636 1/20 0.45
KDM4E B2RXH2 1/20 0.45
CYP3A4 P08684 1/20 0.45
EPHX2 P34913 1/20 0.45
PKM P14618 1/20 0.44
ADRA2A P08913 1/20 0.41
PDE4A P27815 1/20 0.41
ADRA1A P35348 1/20 0.41
HTT P42858 1/20 0.41
GAA P10253 1/20 0.41
MMP2 P08253 3/20 0.39
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 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 0.85 EPHX1 (0.48) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL30151503 0.79 ALDH1A1 (0.46) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL31174196 0.79 EPHX1 (0.42) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL11228360 0.79 EPHX1 (0.45) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL3073114 0.77 EPHX1 (0.44) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL9547549 0.75 EPHX1 (0.54) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL29087524 0.73 ADRA2A (0.41) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL6235316 0.73 ALOX5 (0.38) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL9260272 0.72 ALDH1A1 (0.46) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1
SCHEMBL11377433 0.72 ADRA2A (0.40) EPHX1NPC1SMN1; SMN2RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1197572-C Hypoalbuminemia improvement agent NIPPON ZOKI PHARMACEUTICAL CO (JP) 2005-04-20 CN disclosed
CN-1143674-C Refractory vasculitis therapeutic preparation �ձ���ҩ��ʽ���� 2004-03-31 CN disclosed
CN-1371687-A Hypoalbuminemia improvement agent NIPPON ZOKI PHARMACEUTICAL CO (JP) 2002-10-02 CN disclosed
CN-1253775-A Refractory vasculitis therapeutic preparation NIPPON ZOKI PHARMACEUTICAL CO (JP) 2000-05-24 CN disclosed