SCHEMBL9366388

SCHEMBL9366388

OC(CCc1cccnc1)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.55
GPR132 Q9UNW8 9/20 0.53
CMKLR2 P46091 1/20 0.47
CMKLR1 Q99788 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 1/20 0.47
LMNA P02545 2/20 0.47
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
GRM2 Q14416 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
TSHR P16473 1/20 0.47
HTT P42858 1/20 0.47

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
SCHEMBL9366692 0.84 MAPK1 (0.53) MAPK1GPR132CMKLR2CMKLR1SMN1; SMN2
SCHEMBL16032268 0.84 GPR132 (0.51) MAPK1GPR132
Hydrochloric Acid SCHEMBL9370032 0.83 CYSLTR1 (0.64) MAPK1SMN1; SMN2KMT2ALMNAALDH1A1
SCHEMBL8403515 0.83 GPR132 (0.44) GPR132HTT
SCHEMBL10956292 0.83 SMN1; SMN2 (0.59) MAPK1GPR132CMKLR2CMKLR1SMN1; SMN2
SCHEMBL10638843 0.82 MAPK1 (0.57) MAPK1GPR132SMN1; SMN2KMT2ALMNA
Hydrochloric Acid SCHEMBL10360468 0.81 MAPK1 (0.56) MAPK1GPR132SMN1; SMN2KMT2ALMNA
SCHEMBL16032640 0.81 GPR132 (0.56) GPR132CMKLR2CMKLR1
SCHEMBL9367149 0.81 HIF1A (0.44) GPR132SMN1; SMN2LMNATSHR
SCHEMBL9577515 0.79 CYP4F2 (0.59) MAPK1SMN1; SMN2KMT2ALMNAHPGD

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