SCHEMBL2559129

SCHEMBL2559129

O=Cc1ccc(-c2cc(C(=O)O)cnc2O)s1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2A6 P11509 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2B6 P20813 1/20 0.39
CYP2C19 P33261 1/20 0.39
HPGDS O60760 1/20 0.39
GABRP O00591 1/20 0.38
GABRD O14764 1/20 0.38
GABRA1 P14867 1/20 0.38
GABRB1 P18505 1/20 0.38
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
GABRA3 P34903 1/20 0.38
GABRA2 P47869 1/20 0.38
GABRB2 P47870 1/20 0.38
GABRA4 P48169 1/20 0.38
GABRE P78334 1/20 0.38
GABRA6 Q16445 1/20 0.38

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
SCHEMBL2557775 0.77 P4HA1 (0.58) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2560435 0.77 POLB (0.46) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2559168 0.76 ERN1 (0.34) CSNK2A1MGAMALDH1A1PGRERN1
SCHEMBL2559844 0.75 CYP2E1 (0.46) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2555299 0.75 CYP2E1 (0.39) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2550922 0.74 ERN1 (0.40) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2561828 0.74 CYP2E1 (0.55) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2562398 0.74 TSHR (0.46) DPP4ALDH1A1
SCHEMBL2558597 0.74 CYP2E1 (0.38) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2558189 0.72 KDM4C (0.50) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed
US-11225655-B2 Bi-functional complexes and methods for making and using such complexes NUEVOLUTION A/S (DK) 2022-01-18 US disclosed
EP-3540059-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2019-09-18 EP disclosed
EP-2558577-B1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION AS (DK) 2018-12-12 EP disclosed
US-20130281324-A1 BI-FUNCTINAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2013-10-24 US disclosed
EP-2558577-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES Nuevolution A/S (DK) 2013-02-20 EP disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed