SCHEMBL9444512

SCHEMBL9444512

COC(=O)CCCc1ccc(CCC(=O)OC)c(OCCCCCO)c1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.43
CNR1 P21554 5/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP4A11 Q02928 3/20 0.42
CYP4F2 P78329 2/20 0.42
PPARG P37231 2/20 0.40
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
P2RY12 Q9H244 1/20 0.40
PPARA Q07869 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
SCHEMBL9119157 0.86 MEN1 (0.52) CNR2CNR1MAPTMEN1ALDH1A1
SCHEMBL9120343 0.86 MAPT (0.44) MAPTMEN1KMT2ACYP4A11CYP4F2
SCHEMBL9122500 0.82 PPARD (0.53) ALDH1A1PPARG
SCHEMBL9121261 0.79 PDE3B (0.46) CNR2CNR1MAPTMEN1ALDH1A1
SCHEMBL9121570 0.77 LTB4R (0.47) MAPTMEN1ALDH1A1KMT2A
SCHEMBL9673644 0.76 CYP4A11 (0.63) CYP4A11CYP4F2
SCHEMBL1270074 0.76 HDAC1 (0.55) MAPTMEN1ALDH1A1KMT2A
SCHEMBL31155856 0.76 MAPT (0.60) MAPTMEN1ALDH1A1KMT2A
SCHEMBL27088423 0.76 MEN1 (0.67) CNR2CNR1MEN1ALDH1A1KMT2A
SCHEMBL27403097 0.76 PTPN1 (0.56) MAPTMEN1ALDH1A1KMT2A

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
US-5273999-A A 4-keto-boroalkyleneoxychroman or 2,3-dihydrobenzofuran derivative HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed