SCHEMBL2553486

SCHEMBL2553486

O=Cc1ccc(-c2cc(Cl)cc(C(=O)O)c2)s1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TPMT P51580 1/20 0.46
RXRA P19793 2/20 0.43
RXRB P28702 2/20 0.43
HCAR1 Q9BXC0 1/20 0.41
CYP2E1 P05181 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2A6 P11509 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2B6 P20813 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPT P10636 1/20 0.41
APP P05067 1/20 0.40
CNR1 P21554 1/20 0.38
PRF1 P14222 1/20 0.37
DPP4 P27487 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
ERN1 O75460 1/20 0.35

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
SCHEMBL28936755 0.89 CYP2E1 (0.46) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2559036 0.84 CA12 (0.44) HCAR1CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL2554144 0.82 CYP2E1 (0.41) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2552033 0.82 HCAR1 (0.41) HCAR1CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL15330929 0.79 CYP2E1 (0.49) RXRACYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL2563115 0.79 RXRA (0.47) RXRARXRBCYP2E1CYP3A4CYP2A6
SCHEMBL2557368 0.79 HDAC1 (0.57) RXRARXRBCYP2E1CYP3A4CYP2A6
SCHEMBL2561243 0.78 TP53 (0.43) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2015912 0.78 APP (0.54) CYP2E1CYP3A4CYP2A6CYP2C9CYP2B6
SCHEMBL2561828 0.77 CYP2E1 (0.55) 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