SCHEMBL2557368

SCHEMBL2557368

O=Cc1ccc(-c2cccc(C(=O)O)c2)s1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.57
HDAC6 Q9UBN7 1/20 0.57
LDHA P00338 1/20 0.51
ERN1 O75460 2/20 0.50
KMO O15229 1/20 0.50
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
APP P05067 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
UNG P13051 1/20 0.49
ESR1 P03372 1/20 0.48
ESRRG P62508 1/20 0.48

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
SCHEMBL2015237 0.86 PRF1 (0.59) HDAC1HDAC6ERN1CYP2E1CYP3A4
SCHEMBL28936755 0.85 CYP2E1 (0.46) HDAC1HDAC6LDHAERN1CYP2E1
SCHEMBL2015912 0.83 APP (0.54) HDAC1HDAC6ERN1CYP2E1CYP3A4
SCHEMBL70783 0.81 APP (0.67) HDAC1CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL2559036 0.80 CA12 (0.44) ERN1CYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL2552033 0.79 HCAR1 (0.41) HDAC1HDAC6ERN1CYP2E1CYP3A4
SCHEMBL2561828 0.79 CYP2E1 (0.55) KMOCYP2E1CYP3A4CYP2A6CYP2C9
SCHEMBL2553486 0.79 TPMT (0.46) HDAC1HDAC6ERN1CYP2E1CYP3A4
SCHEMBL2554144 0.79 CYP2E1 (0.41) HDAC1HDAC6LDHAERN1CYP2E1
SCHEMBL2563115 0.79 RXRA (0.47) HDAC1HDAC6CYP2E1CYP3A4CYP2A6

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 8 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-2011135303-A2 UBIQUITINATION MODULATORS ITI SCOTLAND LIMITED (GB) 2011-11-03 WO disclosed
WO-2011127933-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2011-10-20 WO disclosed