SCHEMBL8420875

SCHEMBL8420875

CCCC(=O)Oc1c(C)c(C)c2c(c1C)CCC(C)(C(=O)O)O2

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 12/20 0.65
PTGS1 P23219 1/20 0.59
PTGS2 P35354 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
TSHR P16473 1/20 0.59
PTPN1 P18031 1/20 0.49
GSTO1 P78417 1/20 0.49
TTPA P49638 2/20 0.47
ALOX5 P09917 1/20 0.46
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PDE4A P27815 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL14948986 0.90 PTPN1 (0.59) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL14948991 0.90 PTPN1 (0.59) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL27553771 0.90 PSEN1 (0.64) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL14948992 0.88 PSEN1 (0.56) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL14948984 0.88 PSEN1 (0.56) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL14490673 0.84 GSTO1 (0.55) PSEN1PTGS1PTGS2PTPN1GSTO1
SCHEMBL2059457 0.83 PTGS1 (0.66) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL11701874 0.83 PTGS1 (0.66) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL11705224 0.83 PTGS1 (0.66) PSEN1PTGS1PTGS2CYP1A2CYP3A4
SCHEMBL7823401 0.83 PSEN1 (0.57) PSEN1PTGS1PTGS2CYP1A2CYP3A4

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
US-5889045-A ANTIDIABETIC AGENTS ADIR ET COMPAGNIE (FR) 1999-03-30 US disclosed