SCHEMBL6939638

SCHEMBL6939638

OCCCc1ccccc1C(O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HSD17B10 Q99714 1/20 0.39
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
SLC6A3 Q01959 1/20 0.37
CYSLTR2 Q9NS75 8/20 0.36
CYSLTR1 Q9Y271 8/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
POLB P06746 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL586358 0.84 CYSLTR2 (0.48) MEN1MAPTCYP2C9KMT2ALMNA
SCHEMBL30307843 0.81 MEN1 (0.46) MEN1MAPTCYP2C9KMT2ALMNA
SCHEMBL6444765 0.81 MEN1 (0.46) MEN1MAPTCYP2C9KMT2ALMNA
SCHEMBL23748253 0.76 MEN1 (0.39) MEN1MAPTCYP2C9KMT2ALMNA
SCHEMBL9560130 0.76 ALDH1A1 (0.43) MEN1MAPTCYP2C9KMT2ALMNA
SCHEMBL6899385 0.76 MEN1 (0.49) MEN1MAPTCYP2C9KMT2ALMNA
SCHEMBL8183495 0.76 MEN1 (0.44) MEN1MAPTCYP2C9KMT2ALMNA
SCHEMBL6055110 0.76 GABRA1 (0.45) LMNAALDH1A1SLC6A2CYSLTR2CYSLTR1
SCHEMBL27560047 0.76 MEN1 (0.44) MEN1MAPTCYP2C9KMT2ALMNA
SCHEMBL10900322 0.75 MEN1 (0.38) MEN1MAPTCYP2C9KMT2ALMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed