SCHEMBL28007449

SCHEMBL28007449

NC(=O)OCC1CCCC1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 1/20 0.40
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA4 P22748 2/20 0.39
CA6 P23280 2/20 0.39
PTGS1 P23219 5/20 0.38
PTGS2 P35354 5/20 0.38
OPRK1 P41145 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
KDM4E B2RXH2 1/20 0.37
GAA P10253 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
CYP2D6 P10635 1/20 0.33
NQO1 P15559 1/20 0.33
ALOX15 P16050 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
SCHEMBL8205330 0.83 NPC1 (0.42) NPC1RAB9ASMN1; SMN2LMNACA1
SCHEMBL29126658 0.79 TSHR (0.40) NPC1RAB9ASMN1; SMN2LMNACA1
SCHEMBL10824823 0.78 NPC1 (0.43) NPC1RAB9ASMN1; SMN2LMNACA1
SCHEMBL18014872 0.76 HCAR2 (0.41) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL14479079 0.76 HMGCR (0.41) NPC1RAB9ASMN1; SMN2LMNAPTGS1
SCHEMBL11613545 0.76 PTGS1 (0.34) NPC1RAB9ASMN1; SMN2LMNACA1
SCHEMBL2177295 0.76 NPC1 (0.41) NPC1RAB9ASMN1; SMN2LMNACA1
SCHEMBL17294310 0.76 NPC1 (0.41) NPC1RAB9ASMN1; SMN2LMNACA1
SCHEMBL18014878 0.75 HCAR2 (0.43) NPC1RAB9ASMN1; SMN2LMNACA1
SCHEMBL18014854 0.75 HCAR2 (0.39) NPC1RAB9ASMN1; SMN2LMNACA1

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
CN-102639509-B Azole derivative, process for producing the same, intermediate of the same, and agricultural or horticultural agent KUREHA CORP. (JP) 2016-03-23 CN disclosed
CN-104672092-A Azole derivatives, methods for producing the same, intermediate thereof, agro-horticultural agents KUREHA CORP 2015-06-03 CN disclosed
CN-104610235-A AZOLE DERIVATIVES, METHODS FOR PRODUCING THE SAME, INTERMEDIATE THEREOF, AGRO-HORTICULTURAL AGENTS KUREHA CORP 2015-05-13 CN disclosed