SCHEMBL9696962

SCHEMBL9696962

Cc1ccc(C(=O)Oc2cc(COC(=O)N(C)CC(=O)c3ccccc3)ccc2O)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.44
NPC1 O15118 3/20 0.44
MAPT P10636 6/20 0.40
KMT2A Q03164 5/20 0.40
ESR1 P03372 3/20 0.40
ESR2 Q92731 3/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 1/20 0.38
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A3 Q01959 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
SCHEMBL9696955 0.92 MAPT (0.44) RAB9ANPC1MAPTKMT2AESR1
SCHEMBL9695990 0.88 RAB9A (0.43) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL9696046 0.86 ALOX15 (0.43) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL9696544 0.86 ALOX15 (0.43) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL9696037 0.85 ALOX15 (0.40) RAB9ANPC1KMT2AESR1ESR2
SCHEMBL10603961 0.83 EGFR (0.46) RAB9ANPC1KMT2AMEN1HPGD
SCHEMBL9696260 0.82 ESR1 (0.46) RAB9ANPC1MAPTKMT2AESR1
SCHEMBL9696945 0.80 NPC1 (0.45) RAB9ANPC1MAPTKMT2AESR1
SCHEMBL9695986 0.80 MAPT (0.43) RAB9ANPC1MAPTKMT2AALDH1A1
SCHEMBL9696527 0.79 ALOX15 (0.43) RAB9ANPC1MAPTKMT2AALDH1A1

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