SCHEMBL10517656

SCHEMBL10517656

CCCCc1cc(CC=C(C)CCCC(C)CCCC(C)CCCC(C)C)ccc1O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.45
PDE4A P27815 1/20 0.45
SNCA P37840 1/20 0.45
PDE3A Q14432 1/20 0.45
PTPN1 P18031 2/20 0.45
TRPV1 Q8NER1 3/20 0.44
CNR1 P21554 2/20 0.37
CNR2 P34972 2/20 0.37
TRPA1 O75762 1/20 0.37
INHA P05111 1/20 0.37
SLC6A2 P23975 1/20 0.37
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
OPRM1 P35372 1/20 0.37
PPARG P37231 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KCNH2 Q12809 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37
TRPV3 Q8NET8 1/20 0.37
TRPV4 Q9HBA0 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
SCHEMBL9356601 0.85 PTPN1 (0.52) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL9356606 0.85 PTPN1 (0.52) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL9360002 0.82 PTGS1 (0.52) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL9360006 0.82 PTGS1 (0.52) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL16435130 0.79 PTPN1 (0.51) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL24074922 0.76 PTGS1 (0.58) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL3276562 0.76 PTGS1 (0.57) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL2166510 0.75 PTGS1 (0.49) PTGS1PDE4ASNCAPDE3APTPN1
SCHEMBL27776955 0.75 GABRA1 (0.49) CNR1CNR2GABRA1GABRB2
SCHEMBL7143550 0.75 PTPN1 (0.52) 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
EP-0304842-A2 Isoprenoid derivatives and anti-ulcer agents containing the same NISSHIN FLOUR MILLING CO., LTD. (JP) 1989-03-01 EP disclosed