SCHEMBL8553727

SCHEMBL8553727

CC(O)CC(Oc1ccc(-c2cccc(OCc3ccccc3)c2)cc1)c1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.47
ALOX5 P09917 1/20 0.46
GPR132 Q9UNW8 9/20 0.44
MAPK1 P28482 2/20 0.44
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SMPD1 P17405 1/20 0.43
CTSA P10619 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
EPHX1 P07099 1/20 0.41
CMKLR2 P46091 1/20 0.41
CMKLR1 Q99788 1/20 0.41

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
SCHEMBL8551073 0.89 MAPK1 (0.47) ALOX5GPR132MAPK1LMNASMN1; SMN2
SCHEMBL8550969 0.88 EPHX1 (0.46) HTTSMN1; SMN2CTSAEPHX1
SCHEMBL8109544 0.87 SMN1; SMN2 (0.44) HTTSMN1; SMN2
SCHEMBL8118689 0.86 KCNA5 (0.48) SMN1; SMN2
SCHEMBL8552479 0.85 PRKCI (0.44) FFAR1HPGDHTTSMN1; SMN2
SCHEMBL8552459 0.85 CYP17A1 (0.44) FFAR1
SCHEMBL8554677 0.82 EPHX1 (0.42) FFAR1LMNASMN1; SMN2EPHX1
SCHEMBL8552624 0.82 CYP19A1 (0.47) SMN1; SMN2
SCHEMBL8118468 0.82 KCNA5 (0.45) FFAR1
SCHEMBL8118264 0.82 DGAT2 (0.39) FFAR1

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-0865431-A2 COMPOUNDS Astra Pharmaceuticals Limited (GB) 1998-09-23 EP disclosed
WO-1997020815-A1 COMPOUNDS ASTRA PHARMACEUTICALS LTD. (GB) 1997-06-12 WO disclosed