SCHEMBL31353034

SCHEMBL31353034

C/C(=C\Cc1ccccc1)CCC[C@H](C)CCC[C@H](C)CCCC(C)C

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.62
PDE4A P27815 1/20 0.62
SNCA P37840 1/20 0.62
PDE3A Q14432 1/20 0.62
PTPN1 P18031 3/20 0.58
KDM1A O60341 1/20 0.42
PSEN1 P49768 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
PTPN2 P17706 1/20 0.39
CDC25B P30305 1/20 0.39
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 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
SCHEMBL24075809 1.00 PTGS1 (0.62) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL3276562 0.87 PTGS1 (0.57) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL9348022 0.86 PTPN1 (0.55) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL9348024 0.86 PTPN1 (0.55) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL27576869 0.85 PTGS1 (0.56) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL3276566 0.82 PTGS1 (0.61) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL24074922 0.82 PTGS1 (0.58) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL9356606 0.81 PTPN1 (0.52) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL9356601 0.81 PTPN1 (0.52) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL28473673 0.80 PTPN1 (0.48) PTGS1PDE4ASNCAPDE3APTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114072008-B Therapeutic clay compositions and methods of use 纽崔桂斯特有限责任公司 2025-03-14 CN disclosed