SCHEMBL8487248

SCHEMBL8487248

CCCCC(=O)N(Cc1ccc2oc(-c3ccccc3C#N)cc2c1)CC1(C(=O)OCC)CCCC1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R2 Q9NPC1 2/20 0.34
S1PR1 P21453 1/20 0.34
PKM P14618 1/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 3/20 0.32
RAB9A P51151 3/20 0.32
MAOB P27338 3/20 0.32
ACHE P22303 2/20 0.32
MAOA P21397 2/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL8484799 0.99 LTB4R2 (0.34) LTB4R2S1PR1PKMMEN1KMT2A
SCHEMBL8811173 0.89 S1PR1 (0.34) LTB4R2S1PR1PKMMAOBACHE
SCHEMBL8808994 0.88 S1PR1 (0.34) LTB4R2S1PR1PKMMAOBACHE
SCHEMBL8484079 0.86 LTB4R2 (0.40) LTB4R2PKMMEN1KMT2AALDH1A1
SCHEMBL8487085 0.84 LTB4R2 (0.36) LTB4R2PKMMEN1KMT2AALDH1A1
SCHEMBL1911 0.84 LTB4R2 (0.48) LTB4R2ACHEOXTRAVPR1A
SCHEMBL8911282 0.83 LTB4R2 (0.34) LTB4R2PKMMEN1KMT2AALDH1A1
SCHEMBL8487872 0.83 AGTR1 (0.34) LTB4R2S1PR1PKMMEN1KMT2A
SCHEMBL2366 0.83 LTB4R2 (0.47) LTB4R2ACHEOXTRAVPR1A
SCHEMBL8483906 0.83 AGTR1 (0.34) LTB4R2S1PR1PKMMEN1KMT2A

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-5955487-A TREATING HIGH BLOOD PRESSURE, CARDIAC INSUFFICIENCY, GLAUCOMA CIBA-GEIGY CORPORATION (US) 1999-09-21 US disclosed
US-5620998-A CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-04-15 US disclosed
US-5506240-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed