SCHEMBL9344930

SCHEMBL9344930

Cc1ccc(C(=O)Oc2cc(C(O)CN(C)C(=O)OCc3ccccc3)ccc2OC(=O)C(C)C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALOX15 P16050 1/20 0.39
ALDH1A1 P00352 4/20 0.38
HPGD P15428 1/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
ADRB2 P07550 1/20 0.36
ADRA2A P08913 1/20 0.36
DRD2 P14416 1/20 0.36
ADRA2C P18825 1/20 0.36
DRD1 P21728 1/20 0.36
ADRA1A P35348 1/20 0.36
DRD3 P35462 1/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
POLB P06746 2/20 0.36
LMNA P02545 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL9348914 1.00 MAPT (0.40) MAPTALOX15ALDH1A1HPGDKEAP1
SCHEMBL9696240 0.93 CYP3A4 (0.43) MAPTALOX15ALDH1A1HPGDADRB2
SCHEMBL9345469 0.93 ELANE (0.40) MAPTALOX15ALDH1A1HPGDADRB2
SCHEMBL9344950 0.92 MAPT (0.40) MAPTALDH1A1HPGDKEAP1NFE2L2
SCHEMBL9696041 0.84 MAPT (0.41) MAPTALOX15ALDH1A1HPGDADRB2
SCHEMBL9696537 0.84 MAPT (0.41) MAPTALOX15ALDH1A1HPGDADRB2
SCHEMBL10438192 0.82 ALOX15 (0.36) MAPTALOX15ALDH1A1KEAP1NFE2L2
SCHEMBL9696017 0.82 CA1 (0.39) ALOX15ALDH1A1ADRB2ADRA2ADRD2
SCHEMBL21462592 0.82 MEN1 (0.40) MAPTALDH1A1HPGDADRB2CYP3A4
SCHEMBL9696046 0.81 ALOX15 (0.43) MAPTALOX15ALDH1A1HPGDADRB2

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-0393782-B1 Catecholamine esters ZAMBON SPA (IT) 1994-08-03 EP disclosed
US-5144059-A CATECHOLAMINE ESTERS SIMES SOCIETA ITALIANA MEDICINALI E. SINTETICI S.A. (IT) 1992-09-01 US disclosed