SCHEMBL2558619

SCHEMBL2558619

O=Cc1ccc(-c2ccccc2C(=O)O)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 1/20 0.46
APP P05067 1/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
DPP4 P27487 1/20 0.44
ALOX12 P18054 1/20 0.44
ALDH1A1 P00352 4/20 0.42
ALOX15 P16050 1/20 0.42
HPGD P15428 3/20 0.41
GAA P10253 2/20 0.41
CYP2E1 P05181 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
MYC P01106 1/20 0.41
AGTR1 P30556 1/20 0.40
AGTR2 P50052 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL2561507 0.84 POLB (0.51) KDM4EPOLBLMNAAPPCYP3A4
SCHEMBL2555723 0.81 ERN1 (0.39) KDM4EPOLBAPPCYP3A4CYP2C9
SCHEMBL2551381 0.78 CYP2A6 (0.51) KDM4EPOLBAPPCYP3A4CYP2C9
SCHEMBL15329691 0.78 ALDH1A1 (0.45) KDM4EDPP4ALDH1A1HPGDGAA
SCHEMBL2560505 0.78 KEAP1 (0.39) KDM4ELMNAAPPCYP3A4CYP2C9
SCHEMBL2562840 0.78 CSNK2A1 (0.44) KDM4EPOLBCYP3A4CYP2C9DPP4
SCHEMBL2562004 0.78 CYP2A6 (0.51) KDM4EAPPCYP3A4CYP2C9DPP4
SCHEMBL2561442 0.78 KEAP1 (0.42) KDM4ELMNAAPPCYP3A4CYP2C9
SCHEMBL4639255 0.76 NOTUM (0.56) POLBALDH1A1MYCL3MBTL1
SCHEMBL20815708 0.76 ALDH1A1 (0.56) KDM4ECYP3A4CYP2C9ALOX12ALDH1A1

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