SCHEMBL8009514

SCHEMBL8009514

O=C1CCCC1CSCO

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
LMNA P02545 1/20 0.37
CA1 P00915 3/20 0.37
CA2 P00918 3/20 0.37
CA4 P22748 3/20 0.37
CA6 P23280 2/20 0.37
PTGS1 P23219 8/20 0.36
PTGS2 P35354 8/20 0.36
OPRK1 P41145 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL28815447 0.76
SCHEMBL7199479 0.76
SCHEMBL16151463 0.76
SCHEMBL8023911 0.75
SCHEMBL6706718 0.74
Ethylene Glycol SCHEMBL28420640 0.74 NPC1 (0.41) NPC1RAB9ASMN1; SMN2LMNACA1
SCHEMBL10210373 0.73 CA1 (0.45) NPC1RAB9ASMN1; SMN2LMNACA1
SCHEMBL2221778 0.71 KDM4E (0.51) NPC1RAB9ASMN1; SMN2LMNACA1
SCHEMBL1117680 0.70
SCHEMBL13766051 0.70

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
EP-0976709-A1 2,3-DISUBSTITUTED CYCLOPENTANONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF NIPPON KAYAKU CO., LTD. (JP) 2000-02-02 EP claimed
JP-10175944-A None JP disclosed
US-6114364-A 2-((SUBSTITUTED)ALKYL(THIO, SULFONYL, OR SULFOXY)METHYL), 3-(CARBOXYL OR ALIPHATIC HYDROCARBONYL)CYCLOPENTAN-1-ONE DERIVATIVES, EXCEPT CYSTACYCLIN; USE AS NEURON DIFFERENTIATION ACCELERATOR NIPPON KAYAKU CO., LTD. (JP) 2000-09-05 US disclosed
EP-0976709-A1 2,3-DISUBSTITUTED CYCLOPENTANONE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL USE THEREOF NIPPON KAYAKU CO., LTD. (JP) 2000-02-02 EP disclosed
JP-H10175944-A PRODUCTION OF CYSTACYCLIN AND ITS INTERMEDIATE NIPPON KAYAKU CO LTD 1998-06-30 JP disclosed