SCHEMBL8375490

SCHEMBL8375490

CC(O)Cc1cccc(C(=O)O)c1

nearest known ligand 0.59

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 9/20 0.59
ANPEP P15144 1/20 0.59
ENPEP Q07075 1/20 0.59
MEP1B Q16820 3/20 0.54
MRGPRX4 Q96LA9 1/20 0.52

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
Isophthalic Acid SCHEMBL27506613 0.91 FOLH1 (0.51) FOLH1ANPEPENPEPMEP1BMRGPRX4
SCHEMBL765921 0.87 FOLH1 (0.61) FOLH1ANPEPENPEPMEP1BMRGPRX4
SCHEMBL15524786 0.86 FOLH1 (0.56) FOLH1ANPEPENPEPMEP1BMRGPRX4
SCHEMBL9061942 0.86 SLC7A5 (0.48) FOLH1ANPEPENPEP
SCHEMBL9622159 0.86 ANPEP (0.69) FOLH1ANPEPENPEP
SCHEMBL1397444 0.86 ANPEP (0.69) FOLH1ANPEPENPEP
SCHEMBL14478232 0.86 ANPEP (0.69) FOLH1ANPEPENPEP
SCHEMBL27848140 0.85 FOLH1 (0.63) FOLH1ANPEPENPEPMEP1B
SCHEMBL9209594 0.84 FOLH1 (0.62) FOLH1ANPEPENPEPMEP1BMRGPRX4
Hydrochloric Acid SCHEMBL27656347 0.84 ANPEP (0.67) FOLH1ANPEPENPEP

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
WO-1999031055-A1 NOVEL VITAMIN D3 AMIDE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-06-24 WO disclosed