SCHEMBL2555299

SCHEMBL2555299

O=Cc1ccc(-c2cnc(O)cc2C(=O)O)s1

nearest known ligand 0.53

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
DPP4 P27487 1/20 0.38
APP P05067 1/20 0.36
PRF1 P14222 1/20 0.36
HPGDS O60760 1/20 0.34
MAPT P10636 3/20 0.34
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ERN1 O75460 1/20 0.33
KDM4E B2RXH2 3/20 0.32
GAA P10253 2/20 0.32
HPGD P15428 2/20 0.32
POLB P06746 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31

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
SCHEMBL2554550 0.86 GABRP (0.42) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2558597 0.85 CYP2E1 (0.38) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2562004 0.77 CYP2A6 (0.51) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL15331977 0.76 ERN1 (0.33) ERN1HSD17B10
SCHEMBL2559844 0.75 CYP2E1 (0.46) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2559129 0.75 CYP2E1 (0.39) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2562840 0.74 CSNK2A1 (0.44) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2551381 0.74 CYP2A6 (0.51) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2561442 0.74 KEAP1 (0.42) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2558619 0.73 KDM4E (0.46) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6

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