SCHEMBL9212849

SCHEMBL9212849

CCC(OC(=O)C(O)c1ccccc1)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KLK7 P49862 5/20 0.51
LMNA P02545 5/20 0.50
MAPK1 P28482 1/20 0.50
HPGD P15428 1/20 0.42
PPARG P37231 1/20 0.42
PPARA Q07869 1/20 0.42
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NAAA Q02083 2/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 2/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 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
SCHEMBL360653 0.85 KLK7 (0.68) KLK7LMNACYP2D6HSD17B10CHRM1
SCHEMBL360652 0.85 KLK7 (0.68) KLK7LMNACYP2D6HSD17B10CHRM1
SCHEMBL4952794 0.84 LMNA (0.47) KLK7LMNAMAPK1HPGDPPARG
SCHEMBL27710416 0.83 LMNA (0.50) KLK7LMNAMAPK1HPGDCES2
SCHEMBL4953863 0.83 LMNA (0.43) KLK7LMNAMAPK1HPGDPPARG
SCHEMBL30146834 0.83 LMNA (0.48) KLK7LMNAMAPK1HPGDCES2
SCHEMBL9215034 0.82 NAAA (0.51) KLK7LMNAMAPK1NAAA
SCHEMBL17766275 0.81 MAPT (0.54) KLK7LMNAMAPK1HPGDCES2
SCHEMBL28469111 0.81 LMNA (0.47) KLK7LMNAMAPK1HPGDCES2
SCHEMBL4951909 0.81 METAP2 (0.44) KLK7LMNAMAPK1HPGDPPARG

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-1995005159-A1 ACYLATED HYDROXYALKANOATES AND THEIR USES UNILEVER PLC (GB) 1995-02-23 WO disclosed