SCHEMBL9696955

SCHEMBL9696955

Cc1ccc(C(=O)Oc2cc(C(=O)CN(C)C(=O)OCc3ccccc3)ccc2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.44
HPGD P15428 2/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.41
EGFR P00533 2/20 0.41
KMT2A Q03164 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
HSP90AA1 P07900 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
POLB P06746 1/20 0.39
SRC P12931 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.37
CA4 P22748 1/20 0.37

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
SCHEMBL9696962 0.92 RAB9A (0.44) MAPTHPGDALDH1A1LMNAKMT2A
SCHEMBL9695986 0.88 MAPT (0.43) MAPTHPGDALDH1A1LMNAEGFR
SCHEMBL9696041 0.86 MAPT (0.41) MAPTHPGDALDH1A1LMNAEGFR
SCHEMBL9696537 0.86 MAPT (0.41) MAPTHPGDALDH1A1LMNAEGFR
SCHEMBL9696028 0.85 EGFR (0.42) MAPTHPGDALDH1A1LMNAEGFR
SCHEMBL10603957 0.85 EGFR (0.53) MAPTHPGDALDH1A1LMNAEGFR
SCHEMBL8559873 0.82 EGFR (0.48) MAPTHPGDALDH1A1LMNAEGFR
SCHEMBL9696940 0.80 MAPT (0.45) MAPTALDH1A1LMNAKMT2AESR1
SCHEMBL9695990 0.80 RAB9A (0.43) MAPTHPGDALDH1A1LMNAKMT2A
SCHEMBL10603961 0.79 EGFR (0.46) HPGDLMNAEGFRKMT2ANPC1

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