SCHEMBL14198652

SCHEMBL14198652

COC(=O)c1ccc(C[SH](=O)=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LOXL2 Q9Y4K0 1/20 0.61
▸ CYP4A11 Q02928 2/20 0.56
▸ CYP4F2 P78329 1/20 0.54
▸ CA1 P00915 3/20 0.53
▸ CA2 P00918 3/20 0.53
▸ TDP1 Q9NUW8 1/20 0.53
▸ CA12 O43570 1/20 0.53
▸ CA7 P43166 1/20 0.53
▸ CA9 Q16790 1/20 0.53
▸ CA14 Q9ULX7 1/20 0.53
▸ MAPT P10636 2/20 0.53
▸ TSHR P16473 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ KDM4E B2RXH2 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ MAPK1 P28482 1/20 0.49

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
SCHEMBL27508757 0.90 LOXL2 (0.51) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL131711 0.84 LOXL2 (0.70) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL28631592 0.82 LOXL2 (0.68) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL63426 0.82 LOXL2 (0.68) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL28800124 0.82 LOXL2 (0.68) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL28291325 0.81 CYP4A11 (0.62) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL27816868 0.81 CA12 (0.48) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL28533242 0.80 LOXL2 (0.66) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL28529337 0.80 LOXL2 (0.66) LOXL2CYP4A11CYP4F2CA1CA2
SCHEMBL69454 0.79 LOXL2 (0.70) LOXL2CYP4A11CYP4F2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020047487-A1 METHODS FOR TREATING CANCER WITH RORGAMMA INHIBITORS AND STATINS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2020-03-05 — — WO disclosed
CN-1960967-B Triketone-based compound, method for producing the same and herbicide containing the same ISHIHARA SANGYO KAISHA 2010-12-29 — — CN disclosed
EP-1483285-B1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2008-05-07 — — EP disclosed
CN-1332944-C Amino acid accelerated CuI catalyzed aryl halide and coupling reaction of alkyl sulfonate SHANGHAI INST ORGANIC CHEM (CN) 2007-08-22 — — CN disclosed
CN-1960967-A Triketone-based compound, method for producing the same and herbicide containing the same ISHIHARA SANGYO KAISHA (JP) 2007-05-09 — — CN disclosed
CN-1651408-A Amino acid accelerated CuI catalyzed aryl halide and coupling reaction of alkyl sulfonate SHANGHAI INST ORGANIC CHEM (CN) 2005-08-10 — — CN disclosed
CN-1187349-C 3-(4.5-dihydroisoxazole-5-yl)-benzoylpyrazole BASF AG (DE) 2005-02-02 — — CN disclosed
CN-1553891-A Method for producing 3-bromomethylbenzoic acids �Ϻ���ͨ��ѧ 2004-12-08 — — CN disclosed
WO-2003076457-A1 INHIBITORS OF THE BLOOD-CLOTTING FACTOR Xa, PRODUCTION THEREOF AND USE OF THE SAME CURACYTE AG (DE) 2003-09-18 — — WO disclosed
CN-1413209-A 3-(4.5-dihydroisoxazole-5-yl)-benzoylpyrazole BASF AG (DE) 2003-04-23 — — CN disclosed
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