SCHEMBL9367809

SCHEMBL9367809

COc1cccc(OCC(O)c2cc(OCc3ccccc3)ccc2OC)c1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 7/20 0.62
ADRA2A P08913 1/20 0.52
ADRA1A P35348 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.49
TSHR P16473 2/20 0.48
APP P05067 1/20 0.48
MAPK1 P28482 1/20 0.48
ADRB2 P07550 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRB3 P13945 1/20 0.47
BCHE P06276 1/20 0.46
ALDH1A1 P00352 1/20 0.46
ABCB1 P08183 1/20 0.45
HTR1A P08908 1/20 0.45
DRD2 P14416 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
ACHE P22303 1/20 0.45
KDM4E B2RXH2 1/20 0.45

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
SCHEMBL9366606 0.85 LRRK2 (0.46) MAOBADRA2AADRA1AMAPK1ALDH1A1
SCHEMBL9188156 0.84 ADRA2A (0.51) MAOBADRA2AADRA1AMAPK1ADRB2
SCHEMBL9367608 0.83 MAOB (0.68) MAOBMRGPRX4TSHRAPPMAPK1
SCHEMBL9577598 0.81 GPBAR1 (0.58) TSHRMAPK1ALDH1A1
SCHEMBL791569 0.79 MAOB (1.00) MAOBMRGPRX4APPBCHEABCB1
SCHEMBL22498563 0.79 ADRA2A (0.51) MAOBADRA2AADRA1AMRGPRX4ADRB2
SCHEMBL9188298 0.79 ADRA2A (0.51) MAOBADRA2AADRA1AMRGPRX4ADRB2
SCHEMBL15079885 0.77 TSHR (0.57) MAOBTSHRMAPK1ALDH1A1KDM4E
Ethylene Glycol SCHEMBL29003668 0.76 MAOB (0.87) MAOBMRGPRX4APPBCHEABCB1
SCHEMBL6382820 0.76 MAOB (0.53) MAOBADRA2AADRA1AMAPK1ALDH1A1

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