SCHEMBL9695986

SCHEMBL9695986

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 4/20 0.39
PKM P14618 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MEN1 O00255 1/20 0.38
PRSS1 P07477 1/20 0.38
TPSAB1 Q15661 1/20 0.38
LMNA P02545 1/20 0.38
EGFR P00533 1/20 0.37
BRD4 O60885 1/20 0.37
POLB P06746 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 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
SCHEMBL9695990 0.92 RAB9A (0.43) MAPTALDH1A1HPGDKMT2APKM
SCHEMBL9696041 0.90 MAPT (0.41) MAPTALDH1A1HPGDKMT2ANPC1
SCHEMBL9696537 0.90 MAPT (0.41) MAPTALDH1A1HPGDKMT2ANPC1
SCHEMBL9696955 0.88 MAPT (0.44) MAPTALDH1A1HPGDKMT2ANPC1
SCHEMBL9694915 0.85 MAPT (0.42) MAPTALDH1A1HPGDKMT2APKM
SCHEMBL9696523 0.85 MAPT (0.42) MAPTALDH1A1HPGDKMT2APKM
SCHEMBL23040671 0.83 HPGD (0.44) MAPTALDH1A1HPGDKMT2ANPC1
SCHEMBL9344950 0.83 MAPT (0.40) MAPTALDH1A1HPGDKMT2APKM
SCHEMBL9696046 0.83 ALOX15 (0.43) MAPTALDH1A1HPGDKMT2ANPC1
SCHEMBL9696544 0.83 ALOX15 (0.43) MAPTALDH1A1HPGDKMT2ANPC1

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