SCHEMBL6972511

SCHEMBL6972511

O=C(Cc1ccccc1)OCCc1ccc(Cc2c[nH]cn2)cc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.45
ALDH1A1 P00352 2/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
MGLL Q99685 2/20 0.41
APP P05067 1/20 0.41
PAM P19021 1/20 0.41
YWHAG P61981 1/20 0.40
FFAR1 O14842 1/20 0.40
LTA4H P09960 1/20 0.39
ROCK2 O75116 1/20 0.39
HCAR2 Q8TDS4 1/20 0.38
TSHR P16473 1/20 0.38
MAPT P10636 1/20 0.37

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
SCHEMBL6972584 0.89 L3MBTL1 (0.43) ALDH1A1L3MBTL1YWHAGTSHRMAPT
SCHEMBL9023589 0.88 L3MBTL1 (0.59) ALDH1A1MAPK1L3MBTL1MGLLPAM
SCHEMBL9024167 0.84 YWHAG (0.41) ALOX5ALDH1A1L3MBTL1APPYWHAG
SCHEMBL6960285 0.81 CHRNB2 (0.50) HCAR2
SCHEMBL6971280 0.81 L3MBTL1 (0.44) ALDH1A1L3MBTL1YWHAGTSHRMAPT
SCHEMBL245747 0.78 ALDH1A1 (0.66) ALOX5ALDH1A1MAPK1L3MBTL1TDP1
SCHEMBL6966335 0.77 CA2 (0.44) ALDH1A1TDP1FFAR1TSHRMAPT
SCHEMBL6958769 0.77 POLB (0.45) ALDH1A1MAPK1L3MBTL1TSHRMAPT
SCHEMBL649075 0.77 ALDH1A1 (0.46) ALDH1A1L3MBTL1TDP1LTA4HTSHR
SCHEMBL9028085 0.75 KMT2A (0.55) ALDH1A1L3MBTL1TDP1TSHRMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729459-B1 PHENYL-ALKYL IMIDAZOLES AS H3-RECEPTOR ANTAGONISTS SCHERING CORP (US) 2003-03-12 EP disclosed
US-5578616-A ANTIINFLAMMATORY AGENTS, ANTIALLERGENS, TREATMENT FOR GASTROINTESTINAL AND CARDIOVASCULAR DISORDERS SCHERING CORPORATION (US) 1996-11-26 US disclosed