SCHEMBL2555838

SCHEMBL2555838

NC(=O)c1cccc(-c2cc(C=O)ccc2O)c1

nearest known ligand 0.61

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 9/20 0.61
▸ PARP1 P09874 1/20 0.45
▸ PELI1 Q96FA3 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ RAB9A P51151 1/20 0.43
▸ RXRA P19793 1/20 0.43
▸ NR4A2 P43354 1/20 0.43
▸ BAZ2B Q9UIF8 1/20 0.43
▸ BAZ2A Q9UIF9 1/20 0.43
▸ UNG P13051 1/20 0.42
▸ PRKCI P41743 1/20 0.42
▸ KDM1A O60341 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ TRIM24 O15164 1/20 0.41
▸ TRIM33 Q9UPN9 1/20 0.41

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
SCHEMBL15331514 0.83 ERN1 (0.58) ERN1PELI1KDM4EPTGS2RAB9A
SCHEMBL4078164 0.81 ERN1 (0.49) ERN1PARP1BAZ2BBAZ2AUNG
SCHEMBL1347539 0.81 ERN1 (0.54) ERN1PARP1RAB9ABAZ2BBAZ2A
SCHEMBL1347851 0.81 ERN1 (0.49) ERN1PARP1BAZ2BBAZ2AUNG
SCHEMBL12607521 0.81 ERN1 (0.62) ERN1PARP1UNGTRIM24TRIM33
SCHEMBL30753268 0.81 TRIM24 (0.53) ERN1PARP1UNGKDM1AHDAC1
SCHEMBL1348028 0.80 ERN1 (0.65) ERN1PARP1TRIM24TRIM33
SCHEMBL1786253 0.78 ERN1 (0.57) ERN1PARP1BAZ2BBAZ2A
SCHEMBL12607524 0.78 ERN1 (0.57) ERN1PARP1TRIM24TRIM33
SCHEMBL31194720 0.77 PELI1 (0.62) PELI1KDM4EPTGS2RAB9ARXRA

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-2011143772-A1 INHIBITORS OF HIV REPLICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-24 — — 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
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