SCHEMBL9367608

SCHEMBL9367608

COc1cccc(OCC(O)c2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.68
MRGPRX4 Q96LA9 1/20 0.53
APP P05067 1/20 0.52
TSHR P16473 1/20 0.52
MAPK1 P28482 1/20 0.52
KMT2A Q03164 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
PPARG P37231 2/20 0.50
BCHE P06276 1/20 0.50
MEN1 O00255 1/20 0.50
AOC3 Q16853 1/20 0.50

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
SCHEMBL31572500 0.87 AOC3 (0.59) TSHRMAPK1KMT2APPARGAOC3
SCHEMBL22785970 0.85 AOC3 (0.54) MAOBPPARGAOC3
SCHEMBL4822571 0.84 MAOB (0.68) MAOBMRGPRX4APPTSHRMAPK1
SCHEMBL9369893 0.83 TSHR (0.57) TSHRMAPK1PPARGAOC3
SCHEMBL791569 0.83 MAOB (1.00) MAOBMRGPRX4APPBCHE
SCHEMBL9367809 0.83 MAOB (0.62) MAOBMRGPRX4APPTSHRMAPK1
SCHEMBL20816018 0.82 KMT2A (0.57) MAOBTSHRMAPK1KMT2ASMN1; SMN2
SCHEMBL4596162 0.82 KMT2A (0.57) MAOBTSHRMAPK1KMT2ASMN1; SMN2
SCHEMBL9366692 0.81 MAPK1 (0.53) TSHRMAPK1KMT2ASMN1; SMN2MEN1
SCHEMBL9188249 0.80 KMT2A (0.58) MAOBTSHRMAPK1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0391624-B1 Substituted 1-[3-heteroarylmethoxy)phenyl] alkanols and related compounds in the treatment of asthma, arthritis and related diseases PFIZER (US) 1994-04-06 EP disclosed
US-5248685-A Substituted 1-[3-(heteroarylmethoxy)phenyl]alkanols and related compounds in the treatment of asthma PFIZER INC. (US) 1993-09-28 US disclosed
WO-1990012006-A1 SUBSTITUTED 1-[3-(HETEROARYLMETHOXY)PHENYL]ALKANOLS AND RELATED COMPOUNDS IN THE TREATMENT OF ASTHMA, ARTHRITIS AND RELATED DISEASES PFIZER INC. (US) 1990-10-18 WO disclosed
EP-0391624-A1 Substituted 1-[3-heteroarylmethoxy)phenyl] alkanols and related compounds in the treatment of asthma, arthritis and related diseases PFIZER INC. (US) 1990-10-10 EP disclosed