SCHEMBL9501510

SCHEMBL9501510

CC(C)Oc1ccc2ccc(C(=O)Nc3nnn[nH]3)c(OC(C)C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALPL P05186 1/20 0.41
ALPI P09923 1/20 0.41
ALPG P10696 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.39
XDH P47989 1/20 0.38
KLF5 Q13887 1/20 0.38
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
PLAU P00749 4/20 0.36
PLG P00747 3/20 0.36
TRPV1 Q8NER1 1/20 0.36
F2 P00734 2/20 0.35
PLAT P00750 2/20 0.35
KLKB1 P03952 2/20 0.35

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
SCHEMBL9501851 0.95 MPO (0.48) MPOCYSLTR1NPC1RAB9AALPL
SCHEMBL9501813 0.88 HTT (0.45) NPC1RAB9AKLF5ALDH1A1LMNA
SCHEMBL9501844 0.88 PLG (0.43) MPOCYSLTR1NPC1RAB9AALPL
SCHEMBL9502628 0.84 RAB9A (0.43) MPOCYSLTR1NPC1RAB9AALDH1A1
SCHEMBL9501827 0.78 POLB (0.40) NPC1RAB9AALPLALDH1A1TP53
SCHEMBL10690439 0.78 NPC1 (0.47) MPOCYSLTR1NPC1RAB9AKLF5
SCHEMBL10693184 0.76 PDE4D (0.36) NPC1RAB9AALPLALPIALPG
SCHEMBL10690737 0.76 PDE4D (0.36) MPOCYSLTR1NPC1RAB9AALPL
SCHEMBL10690904 0.76 PDE4D (0.36) MPOCYSLTR1NPC1RAB9AALPL
SCHEMBL6440669 0.75 MPO (0.69) MPOCYSLTR1NPC1RAB9AALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0279466-B1 NOVEL NAPHTHALENE DERIVATIVES AND ANTIALLERGY AND ANTI-INFLAMMATORY PHARMACEUTICALS WARNER-LAMBERT COMPANY (US) 1993-05-19 EP claimed
US-4767776-A N-1H-tetrazol-5-yl-2-naphthalene carboxamides and their use as antiallergy and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1988-08-30 US claimed
EP-0279466-A2 Novel naphthalene derivatives and antiallergy and anti-inflammatory pharmaceuticals WARNER-LAMBERT COMPANY (US) 1988-08-24 EP claimed
EP-0279466-B1 NOVEL NAPHTHALENE DERIVATIVES AND ANTIALLERGY AND ANTI-INFLAMMATORY PHARMACEUTICALS WARNER-LAMBERT COMPANY (US) 1993-05-19 EP disclosed
US-4767776-A N-1H-tetrazol-5-yl-2-naphthalene carboxamides and their use as antiallergy and antiinflammatory agents WARNER-LAMBERT COMPANY (US) 1988-08-30 US disclosed
EP-0279466-A2 Novel naphthalene derivatives and antiallergy and anti-inflammatory pharmaceuticals WARNER-LAMBERT COMPANY (US) 1988-08-24 EP disclosed