SCHEMBL22098435

SCHEMBL22098435

CCCCCCCCCOC(C)(C)C(=O)CC

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.48
CES2 O00748 3/20 0.47
EPHX1 P07099 1/20 0.41
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
TSHR P16473 2/20 0.40
FAAH O00519 6/20 0.39
CES1 P23141 4/20 0.39
LPAR3 Q9UBY5 3/20 0.39
LPAR1 Q92633 2/20 0.39
LPAR2 Q9HBW0 2/20 0.39
DGKA P23743 1/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL20156712 0.83 CYP4F2 (0.36) CYP4F2CYP4A11
SCHEMBL19820208 0.82 GPR84 (0.48) CES2TSHRMEN1CYP1A2KMT2A
SCHEMBL2785037 0.82 NAAA (0.45) NAAACES2EPHX1CYP4F2CYP4A11
SCHEMBL11240792 0.82 NAAA (0.45) NAAACES2EPHX1CYP4F2CYP4A11
SCHEMBL20915214 0.82 NAAA (0.45) NAAACES2EPHX1CYP4F2CYP4A11
SCHEMBL20936508 0.82 NAAA (0.45) NAAACES2EPHX1CYP4F2CYP4A11
SCHEMBL20936457 0.82 NAAA (0.45) NAAACES2EPHX1CYP4F2CYP4A11
SCHEMBL20915341 0.82 NAAA (0.45) NAAACES2EPHX1CYP4F2CYP4A11
SCHEMBL18377022 0.80 GPR84 (0.57) TSHRMEN1CYP1A2KMT2AHSD17B10
SCHEMBL13975763 0.80 FAAH (0.46) CES2TSHRFAAHCES1DGKA

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-3666766-A1 PYRIDINE COMPOUND SUBSTITUTED WITH AZOLE Taisho Pharmaceutical Co., Ltd. (JP) 2020-06-17 EP disclosed