SCHEMBL6972584

SCHEMBL6972584

O=C(Cc1ccc(Cl)cc1)OCCc1ccc(Cc2c[nH]cn2)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.43
TSHR P16473 1/20 0.43
POLB P06746 1/20 0.43
YWHAG P61981 1/20 0.39
MAPT P10636 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.37
ATM Q13315 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
KLK7 P49862 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
PPARG P37231 1/20 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
SCHEMBL6971280 0.92 L3MBTL1 (0.44) L3MBTL1TSHRPOLBYWHAGMAPT
SCHEMBL9024167 0.90 YWHAG (0.41) L3MBTL1TSHRPOLBYWHAGMAPT
SCHEMBL6972511 0.89 ALOX5 (0.45) L3MBTL1TSHRYWHAGMAPTALDH1A1
SCHEMBL6958769 0.88 POLB (0.45) L3MBTL1TSHRPOLBMAPTALDH1A1
SCHEMBL6974399 0.86 ESR1 (0.42) L3MBTL1MAPTKMT2AHRH4HRH3
SCHEMBL6965330 0.86 ESR1 (0.42) L3MBTL1MAPTKMT2AHRH4HRH3
SCHEMBL6968612 0.84 ROCK2 (0.47) L3MBTL1POLBMAPTHRH4HRH3
SCHEMBL6970271 0.84 HRH4 (0.44) POLBKMT2AHRH4HRH3LMNA
SCHEMBL6970345 0.82 ALDH1A1 (0.44) L3MBTL1TSHRPOLBMAPTALDH1A1
SCHEMBL6970199 0.81 RAB9A (0.40) L3MBTL1TSHRPOLBMAPTALDH1A1

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