SCHEMBL8889014

SCHEMBL8889014

COc1ccc(OC(C)=O)c(C(=O)CCc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
MEN1 O00255 5/20 0.47
KMT2A Q03164 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
AKR1C3 P42330 1/20 0.47
AKR1C2 P52895 1/20 0.47
HSP90AA1 P07900 1/20 0.46
CCR6 P51684 1/20 0.46
KLK7 P49862 1/20 0.46
PKM P14618 1/20 0.44
ACHE P22303 1/20 0.44
CCR5 P51681 1/20 0.43
LMNA P02545 1/20 0.43
TRPV1 Q8NER1 1/20 0.43

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
SCHEMBL14315256 0.79 KMT2A (0.51) MAPTMEN1KMT2AALDH1A1ACHE
SCHEMBL20548781 0.77 MEN1 (0.46) MAPTMEN1KMT2AALDH1A1MAOB
SCHEMBL621794 0.74 TRPV1 (0.56) MAPTMEN1KMT2AALDH1A1MAOB
SCHEMBL10936594 0.72 MEN1 (0.63) MAPTMEN1KMT2AALDH1A1MAOB
SCHEMBL7610342 0.72 AKR1B1 (0.54) MAPTMEN1KMT2AALDH1A1MAOB
SCHEMBL28094404 0.71 TRPV1 (0.59) MAPTMEN1KMT2AALDH1A1MAOB
SCHEMBL9182030 0.71 MAPT (0.61) MAPTMEN1KMT2AALDH1A1AKR1C3
SCHEMBL13227299 0.71 HTT (0.62) MAPTMEN1KMT2AALDH1A1MAOA
SCHEMBL4688326 0.71 MAOB (0.53) MAPTMEN1KMT2AALDH1A1MAOB
SCHEMBL732355 0.71 ALDH1A1 (0.63) MAPTMEN1KMT2AALDH1A1HSP90AA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5641789-A INHIBITORS OF LEUKOTRIENES AND/OR BLOCKERS OF LEUKOTRIENE RECEPTORS; USEFUL IN PREVENTION OR TREATMENT OF ASTHMA, ARTHRITIS, PSORIASIS, ULCERS, MYOCARDIAL INFARCTION PFIZER INC. (US) 1997-06-24 US disclosed
EP-0665842-A1 SULFONAMIDE DERIVATIVES OF BENZENEFUSED HYDROXY SUBSTITUTED CYCLOALKYL AND HETEROCYCLIC RING COMPOUNDS PFIZER INC. (US) 1995-08-09 EP disclosed
WO-1994008996-A1 SULFONAMIDE DERIVATIVES OF BENZENEFUSED HYDROXY SUBSTITUTED CYCLOALKYL AND HETEROCYCLIC RING COMPOUNDS PFIZER INC. (US) 1994-04-28 WO disclosed