SCHEMBL2561478

SCHEMBL2561478

O=Cc1ccc(-c2ccc(C(=O)O)nc2)s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2E1 P05181 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2A6 P11509 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2B6 P20813 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM4E B2RXH2 4/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 2/20 0.46
APP P05067 1/20 0.46
P4HTM Q9NXG6 4/20 0.43
P4HA1 P13674 1/20 0.43
MIF P14174 1/20 0.43
CSNK2A2 P19784 1/20 0.41
CSNK2A1 P68400 1/20 0.41
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.40
GLA P06280 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 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
SCHEMBL2554396 0.80 CYP2E1 (0.49) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2559853 0.77 MAP4K4 (0.44) KDM4EALDH1A1P4HTMP4HA1MIF
SCHEMBL2015912 0.77 APP (0.54) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2559844 0.77 CYP2E1 (0.46) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2558239 0.76 KDM4E (0.50) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2558005 0.76 CYP2E1 (0.44) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL13731115 0.75 P4HTM (0.64) CYP3A4KDM4EALDH1A1P4HTMP4HA1
SCHEMBL2558348 0.74 CYP2E1 (0.46) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL16533152 0.73 CYP2A6 (0.56) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2559107 0.73 P4HTM (0.53) CYP3A4KDM4EALDH1A1P4HTMP4HA1

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