SCHEMBL19182702

SCHEMBL19182702

CC(C)(Cc1cc(Br)cc(CC(C)(C)C(=O)O)c1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ RIPK1 Q13546 1/20 0.36
▸ CYP1A2 P05177 3/20 0.35
▸ CYP3A4 P08684 3/20 0.35
▸ MAPT P10636 3/20 0.35
▸ HPGD P15428 3/20 0.35
▸ HSD17B10 Q99714 3/20 0.35
▸ TDP1 Q9NUW8 3/20 0.35
▸ POLB P06746 3/20 0.35
▸ BLM P54132 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ ALOX15 P16050 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ EGFR P00533 1/20 0.35
▸ FYN P06241 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ APEX1 P27695 1/20 0.35
▸ ADRA1A P35348 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
SCHEMBL23123860 0.82 RIPK1 (0.52) L3MBTL1RIPK1EGFRFFAR4
SCHEMBL5149405 0.80 BLM (0.46) KDM4EL3MBTL1CYP1A2CYP3A4MAPT
SCHEMBL21423155 0.79 NOTUM (0.36) RIPK1CYP1A2CYP3A4HSD17B10KMT2A
SCHEMBL22186481 0.79 KDM4E (0.56) KDM4EL3MBTL1CYP1A2CYP3A4MAPT
SCHEMBL2165518 0.78 TET2 (0.34) KDM4EL3MBTL1RIPK1CYP1A2CYP3A4
SCHEMBL2165516 0.78 TET2 (0.34) KDM4EL3MBTL1RIPK1CYP1A2CYP3A4
SCHEMBL14740848 0.78 CYP1A2 (0.45) KDM4EL3MBTL1RIPK1CYP1A2CYP3A4
SCHEMBL29368049 0.76 CYP1A2 (0.44) KDM4EL3MBTL1RIPK1CYP1A2CYP3A4
SCHEMBL19183324 0.76 RIPK1 (0.33) RIPK1CYP1A2CYP3A4MAPTBLM
SCHEMBL17151809 0.74 CYP1A2 (0.49) KDM4ECYP1A2CYP3A4MAPTHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019025575-A1 PROCESSES FOR PREPARING COMPLEXES COMPRISING RHODIUM(II) AND CARBOXYLATE LIGANDS STOCKHOLM UNIVERSITY HOLDING AB (SE) 2019-02-07 — — WO disclosed
WO-2017129991-A2 PROCESSES FOR PREPARING STERICALLY CONGESTED DICARBOXYLIC ACID LIGANDS AND PRODUCTS THEREOF STOCKHOLM UNIVERSITY HOLDING AB (SE) 2017-08-03 — — WO disclosed
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