SCHEMBL6972548

SCHEMBL6972548

CCOC(C([O])=O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.44
ALDH1A1 P00352 2/20 0.43
CYP3A4 P08684 1/20 0.43
POLB P06746 1/20 0.43
PPARA Q07869 3/20 0.42
PPARG P37231 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KMT2A Q03164 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
GAA P10253 1/20 0.40

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
SCHEMBL6504745 0.86 PPARA (0.49) MMP8ALDH1A1CYP3A4POLBPPARA
SCHEMBL2553482 0.86 PPARA (0.49) MMP8ALDH1A1CYP3A4POLBPPARA
SCHEMBL17653645 0.86 PPARA (0.49) MMP8ALDH1A1CYP3A4POLBPPARA
SCHEMBL13491149 0.85 ALDH1A1 (0.47) MMP8ALDH1A1CYP3A4POLBPPARA
SCHEMBL16672673 0.83 MMP8 (0.54) MMP8ALDH1A1KMT2ALMNATSHR
SCHEMBL5322346 0.83 ALDH1A1 (0.46) MMP8ALDH1A1CYP3A4POLBPPARA
SCHEMBL17653672 0.83 MMP8 (0.54) MMP8ALDH1A1KMT2ALMNATSHR
SCHEMBL17536560 0.83 SMN1; SMN2 (0.44) MMP8ALDH1A1CYP3A4POLBPPARA
SCHEMBL27652260 0.83 MMP8 (0.54) MMP8ALDH1A1KMT2ALMNATSHR
SCHEMBL16672466 0.81 KMT2A (0.56) MMP8ALDH1A1KMT2ALMNATSHR

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed