SCHEMBL17395885

SCHEMBL17395885

CC(=O)c1cccc(NC(=O)/C=C/C(=O)O)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CREBBP Q92793 2/20 1.00
▸ PARP1 P09874 5/20 0.75
▸ PARP10 Q53GL7 5/20 0.75
▸ PARP14 Q460N5 4/20 0.75
▸ PARP15 Q460N3 3/20 0.75
▸ LPAR1 Q92633 1/20 0.75
▸ LPAR2 Q9HBW0 1/20 0.75
▸ ALDH1A1 P00352 4/20 0.70
▸ MAPT P10636 4/20 0.70
▸ LPAR3 Q9UBY5 1/20 0.70
▸ MEN1 O00255 5/20 0.67
▸ KMT2A Q03164 5/20 0.67
▸ LMNA P02545 3/20 0.59
▸ NPC1 O15118 3/20 0.59
▸ RAB9A P51151 3/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ MAPK1 P28482 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55

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
SCHEMBL17395887 1.00 CREBBP (1.00) CREBBPPARP1PARP10PARP14PARP15
SCHEMBL11011741 0.89 CREBBP (0.81) CREBBPPARP1PARP10PARP14PARP15
SCHEMBL11011737 0.89 CREBBP (0.81) CREBBPPARP1PARP10PARP14PARP15
SCHEMBL15798246 0.89 CREBBP (0.79) CREBBPPARP1PARP10PARP14PARP15
SCHEMBL9364423 0.89 CREBBP (0.79) CREBBPPARP1PARP10PARP14PARP15
SCHEMBL9364431 0.89 CREBBP (0.79) CREBBPPARP1PARP10PARP14PARP15
SCHEMBL441804 0.86 LPAR2 (1.00) CREBBPPARP1PARP10PARP14PARP15
SCHEMBL1552033 0.86 LPAR2 (1.00) CREBBPPARP1PARP10PARP14PARP15
SCHEMBL441805 0.86 LPAR2 (1.00) CREBBPPARP1PARP10PARP14PARP15
Iodide SCHEMBL1552156 0.84 LPAR2 (0.96) CREBBPPARP1PARP10PARP14PARP15

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 3 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
WO-2016001452-A1 COMPOUNDS, IN PARTICULAR FOR USE IN THE TREATMENT OF A DISEASE OR CONDITION FOR WHICH A BROMODOMAIN INHIBITOR IS INDICATED Universität Zürich (CH) 2016-01-07 — — WO disclosed
WO-2016001452-A1 COMPOUNDS, IN PARTICULAR FOR USE IN THE TREATMENT OF A DISEASE OR CONDITION FOR WHICH A BROMODOMAIN INHIBITOR IS INDICATED Universität Zürich (CH) 2016-01-07 — — WO disclosed
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