SCHEMBL9370649

SCHEMBL9370649

COC(=O)c1cc(-c2ccc(O)cc2OC)cc(C(=O)O)n1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.50
ESR2 Q92731 2/20 0.50
ALOX15 P16050 1/20 0.42
DHODH Q02127 1/20 0.39
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GPR35 Q9HC97 1/20 0.39
MCL1 Q07820 1/20 0.39
MAPK1 P28482 1/20 0.39
MAOB P27338 1/20 0.38
APP P05067 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA7 P43166 2/20 0.38
CA9 Q16790 2/20 0.38
CA14 Q9ULX7 2/20 0.38
PDK2 Q15119 1/20 0.38
PDK4 Q16654 1/20 0.38

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
SCHEMBL9370641 0.95 ESR1 (0.55) ESR1ESR2MAPK1MAOBAPP
SCHEMBL17595027 0.93 ESR1 (0.56) ESR1ESR2ALOX15DHODHKDM4E
SCHEMBL9376523 0.87 DHODH (0.49) DHODHKDM4EMCL1ALDH1A1ADORA3
SCHEMBL9376516 0.81 CYP1A2 (0.51) DHODHKDM4EALDH1A1ADORA3
SCHEMBL9370136 0.81 MCL1 (0.52) KDM4EMCL1MAPK1ALDH1A1
SCHEMBL22219101 0.79 HSD17B1 (0.49) ESR1ESR2KDM4ECA12CA1
SCHEMBL8544868 0.79 ALPL (0.53) ALOX15DHODHKDM4EL3MBTL1MCL1
SCHEMBL9373803 0.79 MKNK1 (0.42) KDM4EMAPK1ALDH1A1CA12CA1
SCHEMBL22219028 0.77 ESR1 (0.43) ESR1ESR2ALOX15DHODHKDM4E
SCHEMBL1999536 0.76 CA12 (0.48) ALOX15KDM4EL3MBTL1GPR35MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0341298-B1 FLUORESCENT POLY(ARYLPYRIDINE) RARE EARTH CHELATES BAXTER DIAGNOSTICS INC (US) 1994-06-22 EP disclosed
US-5106957-A Fluorescent poly(arylpyridine) rare earth chelates BAXTER DIAGNOSTICS INC. (US) 1992-04-21 US disclosed
EP-0341298-A1 FLUORESCENT POLY(ARYLPYRIDINE) RARE EARTH CHELATES Baxter Diagnostics Inc. (US) 1989-11-15 EP disclosed