SCHEMBL8024040

SCHEMBL8024040

CCCCCCCCCCCC1CCCC1=O

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.47
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
GAA P10253 1/20 0.39
EPHX1 P07099 1/20 0.38
HLCS P50747 1/20 0.38
CYP19A1 P11511 3/20 0.38
S1PR2 O95136 1/20 0.37
S1PR4 O95977 1/20 0.37
S1PR1 P21453 1/20 0.37
S1PR3 Q99500 1/20 0.37
S1PR5 Q9H228 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL115579 1.00 CYP1A2 (0.47) CYP1A2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27762281 1.00 CYP1A2 (0.47) CYP1A2NPC1RAB9ASMN1; SMN2LMNA
Nonane SCHEMBL17844420 1.00 CYP1A2 (0.47) CYP1A2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL6897307 1.00 CYP1A2 (0.47) CYP1A2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL486901 1.00 CYP1A2 (0.47) CYP1A2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27960807 1.00 CYP1A2 (0.47) CYP1A2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL715196 1.00 CYP1A2 (0.47) CYP1A2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL29114737 1.00 CYP1A2 (0.47) CYP1A2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL113288 0.98 CYP1A2 (0.44) CYP1A2NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL13900594 0.98 CYP1A2 (0.44) CYP1A2NPC1RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102516048-B Preparation method for 2-alkyl-cyclopentanone (cyclohexanone) by using tert-butyl peroxybenzonate BEIJING PEKING UNIVERSITY ZOTEQ CO LTD 2014-03-19 CN disclosed
CN-101575274-A Process for preparing 2-alkyl cyclopent (hexano) ones BEIJING PEKING UNIVERSITY ZOTE (CN) 2009-11-11 CN disclosed
EP-0548774-B1 Process for producing a lactone or an ester SUMITOMO CHEMICAL CO (JP) 2000-03-15 EP disclosed
US-5405974-A Reacting a ketone, oxygen, an aromatic aldehyde using an aromatic solvent SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1995-04-11 US disclosed
EP-0548774-A1 Process for producing a lactone or an ester SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-06-30 EP disclosed