SCHEMBL9344950

SCHEMBL9344950

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

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.40
ALDH1A1 P00352 5/20 0.39
HPGD P15428 1/20 0.39
CYP3A4 P08684 3/20 0.38
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TSHR P16473 1/20 0.37
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
HIF1A Q16665 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
SCHEMBL9344930 0.92 MAPT (0.40) MAPTALDH1A1HPGDCYP3A4KEAP1
SCHEMBL9348914 0.92 MAPT (0.40) MAPTALDH1A1HPGDCYP3A4KEAP1
SCHEMBL9696240 0.86 CYP3A4 (0.43) MAPTALDH1A1HPGDCYP3A4TSHR
SCHEMBL9345469 0.85 ELANE (0.40) MAPTALDH1A1HPGDCYP3A4TSHR
SCHEMBL9695986 0.83 MAPT (0.43) MAPTALDH1A1HPGDCYP3A4KMT2A
SCHEMBL10438176 0.83 KMT2A (0.34) MAPTALDH1A1CYP3A4KEAP1NFE2L2
SCHEMBL21462592 0.82 MEN1 (0.40) MAPTALDH1A1HPGDCYP3A4KMT2A
SCHEMBL11286854 0.80 POLB (0.43) ALDH1A1CYP3A4KMT2ALMNAPOLB
SCHEMBL9695990 0.79 RAB9A (0.43) MAPTALDH1A1HPGDCYP3A4KMT2A
SCHEMBL2790849 0.79 CYP3A4 (0.51) MAPTALDH1A1HPGDCYP3A4TSHR

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