SCHEMBL7023152

SCHEMBL7023152

Cc1c(CCC(=O)O)c(=O)oc2cc(O)ccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 1.00
GLA P06280 3/20 1.00
GAA P10253 3/20 1.00
ALDH1A1 P00352 2/20 1.00
HPGD P15428 2/20 1.00
CASP1 P29466 2/20 1.00
CASP7 P55210 2/20 1.00
HSD17B10 Q99714 2/20 1.00
TSHR P16473 1/20 1.00
HSD17B3 P37058 5/20 0.73
PKM P14618 1/20 0.67
MAPT P10636 3/20 0.67
NPSR1 Q6W5P4 1/20 0.64
ERAP1 Q9NZ08 1/20 0.64
CTDSP1 Q9GZU7 2/20 0.62
TP53 P04637 2/20 0.62
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
KMT2A Q03164 1/20 0.60
POLB P06746 2/20 0.60

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
SCHEMBL27921549 0.92 KDM4E (0.85) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL590825 0.86 KDM4E (0.76) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL29785070 0.86 KDM4E (0.76) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL7576024 0.85 KDM4E (0.74) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL30406107 0.85 KDM4E (1.00) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL2554744 0.85 KDM4E (1.00) KDM4EGLAGAAALDH1A1HPGD
Ocimarin SCHEMBL23752453 0.85 HSD17B3 (0.79) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL3767036 0.85 HSD17B3 (1.00) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL11097084 0.85 HSD17B3 (0.89) KDM4EGLAGAAALDH1A1HPGD
SCHEMBL10795060 0.83 HSD17B3 (0.86) KDM4EGLAGAAALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3256120-B1 PSORALEN DERIVATIVES AS NON-PEPTIDIC INHIBITORS OF CHYMOTRYPSIN-LIKE ACTIVITY OF THE IMMUNOPROTEASOME UNIV LJUBLJANI (SI) 2018-11-14 EP disclosed
EP-0538053-B1 Separation and analysis MARCONI OPTICAL COMPONENTS LTD (GB) 2003-01-22 EP disclosed
EP-0653065-B1 SEPARATION METHOD MARCONI OPTICAL COMPONENTS LTD (GB) 2002-10-30 EP disclosed
US-6225043-B1 IMMUNOASSAY IN WHICH ONE OF THE SPECIES IS MASKED AND NOT CAPABLE OF UNDERGOING SPECIFIC BINDING UNLESS REACTED WITH ENZYME WHICH EXPOSES ANTIGENIC LIGAND GEC-MARCONI LIMITED (GB) 2001-05-01 US disclosed
EP-0660933-A1 SEPARATION METHOD GEC-MARCONI LIMITED (GB) 1995-07-05 EP disclosed
WO-1995017670-A1 LABELLING GEC-MARCONI LIMITED (GB) 1995-06-29 WO disclosed
EP-0653065-A1 SEPARATION METHOD GEC-MARCONI LIMITED (GB) 1995-05-17 EP disclosed
WO-1994007140-A1 SEPARATION METHOD GEC-MARCONI LIMITED (GB) 1994-03-31 WO disclosed
WO-1994003807-A1 SEPARATION METHOD GEC-MARCONI LIMITED (GB) 1994-02-17 WO disclosed
EP-0538053-A1 Separation and analysis GEC-MARCONI LIMITED (GB) 1993-04-21 EP disclosed