SCHEMBL7753214

SCHEMBL7753214

COc1ccc(Br)c(CC(C)C(=O)O)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.45
▸ LDHA P00338 1/20 0.45
▸ AKR1C3 P42330 6/20 0.44
▸ AKR1C2 P52895 6/20 0.44
▸ PTGS2 P35354 3/20 0.44
▸ PTGS1 P23219 3/20 0.44
▸ ADAM17 P78536 1/20 0.44
▸ CDC42 P60953 1/20 0.44
▸ RAC1 P63000 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ SLC22A6 Q4U2R8 1/20 0.44
▸ HTR2A P28223 1/20 0.42
▸ ITGB2 P05107 1/20 0.42
▸ ICAM1 P05362 1/20 0.42
▸ ITGAL P20701 1/20 0.42
▸ HDAC1 Q13547 1/20 0.41
▸ AKR1C1 Q04828 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
SCHEMBL20232564 0.83 HSD17B10 (0.46) HSD17B10LDHAAKR1C3AKR1C2PTGS2
SCHEMBL2484247 0.81 POLB (0.42) TSHRITGB2ICAM1ITGAL
SCHEMBL31355498 0.81 POLB (0.42) TSHRITGB2ICAM1ITGAL
SCHEMBL19313248 0.80 GAA (0.53) HPGDHTR2A
SCHEMBL2422165 0.80 HSD17B10 (0.50) HSD17B10LDHATSHRHTR2A
SCHEMBL15931768 0.80 FFAR4 (0.41) ADAM17
SCHEMBL12713189 0.78 PPARA (0.43) CYP1A2TSHRHTR2A
SCHEMBL6976171 0.78 ABCB11 (0.44) HPGDHSD17B10TSHRHTR2A
SCHEMBL2655696 0.78 CA1 (0.47) HPGDHSD17B10AKR1C3AKR1C2PTGS2
SCHEMBL7390154 0.78 HTR2A (0.46) HPGDHTR2A

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2746301-B1 Catalyst BOREALIS AG (AT) 2018-05-30 — — EP disclosed
EP-2746301-B1 Catalyst BOREALIS AG (AT) 2018-05-30 — — EP disclosed
EP-2729479-B1 CATALYSTS BOREALIS AG (AT) 2017-09-06 — — EP disclosed
EP-2729479-B1 CATALYSTS BOREALIS AG (AT) 2017-09-06 — — EP disclosed
US-9630980-B2 Asymmetrical ligands BOREALIS AG (AT) 2017-04-25 — — US disclosed
US-9630980-B2 Asymmetrical ligands BOREALIS AG (AT) 2017-04-25 — — US disclosed
US-9630980-B2 Asymmetrical ligands BOREALIS AG (AT) 2017-04-25 — — US disclosed
US-9598517-B2 Catalysts BOREALIS AG (AT) 2017-03-21 — — US disclosed
US-9598517-B2 Catalysts BOREALIS AG (AT) 2017-03-21 — — US disclosed
US-9598517-B2 Catalysts BOREALIS AG (AT) 2017-03-21 — — US disclosed
WO-2014096166-A1 CATALYSTS BOREALIS AG (AT) 2014-06-26 — — WO disclosed
WO-2014096166-A1 CATALYSTS BOREALIS AG (AT) 2014-06-26 — — WO disclosed
EP-2746301-A1 Catalyst Borealis AG (AT) 2014-06-25 — — EP disclosed
EP-2746301-A1 Catalyst Borealis AG (AT) 2014-06-25 — — EP disclosed
EP-2729479-A1 CATALYSTS Borealis AG (AT) 2014-05-14 — — EP disclosed
WO-2013007650-A1 CATALYSTS BOREALIS AG (AT) 2013-01-17 — — WO disclosed
WO-2013007650-A1 CATALYSTS BOREALIS AG (AT) 2013-01-17 — — WO disclosed
EP-1070039-A1 OXIDATION PROCESS USING TEMPO Merck & Co., Inc. (US) 2001-01-24 — — EP disclosed
US-6127573-A CATALYZED OXIDATION OF PRIMARY ALCOHOLS TO CORRESPONDING CARBOXYLIC ACIDS IN THE PRESENCE OF CATALYTIC AMOUNT OF SODIUM CHLORITE AND STOICHIOMETRIC AMOUNT OF SODIUM HYPOCHLORITE AS AN OXIDANT MERCK & CO., INC. (US) 2000-10-03 — — US disclosed
WO-1999052849-A1 OXIDATION PROCESS USING TEMPO MERCK & CO., INC. (US) 1999-10-21 — — WO disclosed
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