SCHEMBL9696041

SCHEMBL9696041

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
ALOX15 P16050 1/20 0.41
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ADRB2 P07550 1/20 0.38
ADRA2A P08913 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2C P18825 1/20 0.38
DRD1 P21728 1/20 0.38
ADRA1A P35348 1/20 0.38
DRD3 P35462 1/20 0.38
KMT2A Q03164 2/20 0.37
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
EGFR P00533 1/20 0.36
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.36
AKR1C3 P42330 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
SCHEMBL9696537 1.00 MAPT (0.41) MAPTALOX15HPGDALDH1A1ADRB2
SCHEMBL9696544 0.93 ALOX15 (0.43) MAPTALOX15HPGDALDH1A1ADRB2
SCHEMBL9696046 0.93 ALOX15 (0.43) MAPTALOX15HPGDALDH1A1ADRB2
SCHEMBL9696523 0.93 MAPT (0.42) MAPTALOX15HPGDALDH1A1ADRB2
SCHEMBL9695986 0.90 MAPT (0.43) MAPTHPGDALDH1A1KMT2ANPC1
SCHEMBL9696955 0.86 MAPT (0.44) MAPTHPGDALDH1A1KMT2ANPC1
SCHEMBL9696975 0.86 ADRB2 (0.41) MAPTALOX15HPGDALDH1A1ADRB2
SCHEMBL9696527 0.85 ALOX15 (0.43) MAPTALOX15HPGDALDH1A1ADRB2
SCHEMBL9348914 0.84 MAPT (0.40) MAPTALOX15HPGDALDH1A1ADRB2
SCHEMBL9344930 0.84 MAPT (0.40) MAPTALOX15HPGDALDH1A1ADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5144059-A CATECHOLAMINE ESTERS SIMES SOCIETA ITALIANA MEDICINALI E. SINTETICI S.A. (IT) 1992-09-01 US disclosed