SCHEMBL8799495

SCHEMBL8799495

COC(=O)CCCOc1ccc(CCC(=O)OC)c(OCCCCCOS(C)(=O)=O)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.42
CNR2 P34972 6/20 0.41
CNR1 P21554 4/20 0.41
PDE3B Q13370 6/20 0.41
PDE3A Q14432 6/20 0.41
P2RY12 Q9H244 5/20 0.41
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
PPARD Q03181 1/20 0.40
TSHR P16473 1/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 1/20 0.39
PDE2A O00408 2/20 0.39

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
SCHEMBL8799721 0.89 MEN1 (0.43) MEN1ALDH1A1KMT2ACNR2CNR1
SCHEMBL9119818 0.89 PDE3B (0.43) MEN1ALDH1A1KMT2AMAPTCNR2
SCHEMBL9119157 0.86 MEN1 (0.52) MEN1ALDH1A1KMT2AMAPTCNR2
SCHEMBL8800390 0.84 LTB4R (0.41) MEN1ALDH1A1KMT2AMAPTCNR2
SCHEMBL27088423 0.83 MEN1 (0.67) MEN1ALDH1A1KMT2ACNR2CNR1
SCHEMBL5989482 0.83 DYRK1A (0.41) MEN1ALDH1A1KMT2AMAPTPDE3B
SCHEMBL9121426 0.82 PPARD (0.49) MEN1ALDH1A1KMT2ALTB4RLTB4R2
SCHEMBL9117669 0.81 BRD4 (0.45) MEN1KMT2ACNR2PDE3BPDE3A
SCHEMBL9121185 0.80 MAPT (0.41) MEN1KMT2AMAPTLTB4RPPARD
SCHEMBL9117368 0.79 PDE3B (0.41) MEN1ALDH1A1KMT2ACNR2CNR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755381-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B 4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1997-01-29 EP disclosed
WO-1995028386-A1 SUBSTITUTED PYRIDINE LEUKOTRIENE B4 ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 1995-10-26 WO disclosed
US-5434186-A Antiinflammatory agents HOFFMANN-LA ROCHE INC. (US) 1995-07-18 US disclosed
US-5273999-A A 4-keto-boroalkyleneoxychroman or 2,3-dihydrobenzofuran derivative HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
EP-0531823-A1 Bicyclic carboxylic acid derivatives as anti-inflammatory agents F. HOFFMANN-LA ROCHE AG (CH) 1993-03-17 EP disclosed