SCHEMBL6560050

SCHEMBL6560050

CCOC(=O)c1c(OC)cc(OC)cc1C(=O)Oc1ccc(C(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.50
ALDH1A1 P00352 2/20 0.49
HTT P42858 2/20 0.48
USP2 O75604 1/20 0.48
MKNK2 Q9HBH9 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CYP3A4 P08684 2/20 0.44
HPGD P15428 2/20 0.44
HSD17B2 P37059 1/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C19 P33261 1/20 0.43
KDM4E B2RXH2 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
TSHR P16473 1/20 0.42
RXRA P19793 1/20 0.42
TDP1 Q9NUW8 1/20 0.41

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
Paraben SCHEMBL6560054 0.86 MKNK2 (0.52) KMT2AALDH1A1HTTUSP2MKNK2
SCHEMBL13554532 0.77 CYP3A4 (0.63) KMT2AALDH1A1USP2CA1CA2
4-Methoxybenzoic Acid Ethyl Ester SCHEMBL10937413 0.74 CA1 (0.69) KMT2AHTTCA1CA2CYP3A4
SCHEMBL2829414 0.74 HSD17B2 (0.55) KMT2AALDH1A1HTTCA1CA2
SCHEMBL12561005 0.74 KMT2A (0.58) KMT2AALDH1A1HTTCA1CA2
SCHEMBL4106403 0.73 CYP3A4 (0.71) KMT2AALDH1A1USP2CYP3A4HPGD
SCHEMBL9019336 0.73 NPC1 (0.50) KMT2AHTTUSP2CYP3A4HPGD
SCHEMBL12770779 0.73 HPGD (0.48) KMT2AALDH1A1HTTUSP2CYP3A4
SCHEMBL17779160 0.72 CYP3A4 (0.74) KMT2AALDH1A1USP2CA1CA2
SCHEMBL8206092 0.72 PRSS1 (0.62) KMT2AHTTCA1CA2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1404372-A1 PHARMACEUTICAL FORMULATIONS AND LIGANDS FOR USE THEREIN; MIMETICS FOR UEA-1 Sarlan, Ltd. (BM) 2004-04-07 EP disclosed
WO-2003004062-A9 PHARMACEUTICAL FORMULATIONS AND LIGANDS FOR USE THEREIN; MIMETICS FOR UEA-1 SARLAN LTD 2003-04-10 WO disclosed
WO-2003004062-A1 PHARMACEUTICAL FORMULATIONS AND LIGANDS FOR USE THEREIN; MIMETICS FOR UEA-1 SARLAN, LTD. (BM) 2003-01-16 WO disclosed