SCHEMBL9348024

SCHEMBL9348024

CC(=CCc1ccc(S)cc1)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.55
PTGS1 P23219 1/20 0.53
PDE4A P27815 1/20 0.53
SNCA P37840 1/20 0.53
PDE3A Q14432 1/20 0.53
TRPV1 Q8NER1 1/20 0.41
PTPN2 P17706 1/20 0.38
CDC25B P30305 1/20 0.38
KDM1A O60341 1/20 0.38
PSEN1 P49768 2/20 0.37
TRPA1 O75762 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL9348022 1.00 PTPN1 (0.55) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL3276562 0.87 PTGS1 (0.57) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL24075809 0.86 PTGS1 (0.62) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL31353034 0.86 PTGS1 (0.62) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL9356601 0.81 PTPN1 (0.52) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL9356606 0.81 PTPN1 (0.52) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL9360006 0.79 PTGS1 (0.52) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL9360002 0.79 PTGS1 (0.52) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL9356482 0.78 TRPV1 (0.54) PTPN1PTGS1PDE4ASNCAPDE3A
SCHEMBL9356487 0.78 TRPV1 (0.54) PTPN1PTGS1PDE4ASNCAPDE3A

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
US-5321053-A Curable mixture of vinyl monomer containing acidic group and photoinitiator KURARAY CO., LTD. (JP) 1994-06-14 US disclosed
EP-0155812-B1 DENTAL COMPOSITIONS KURARAY CO., LTD. (JP) 1991-09-11 EP disclosed
EP-0155812-A2 Dental compositions KURARAY CO., LTD. (JP) 1985-09-25 EP disclosed