SCHEMBL7344631

SCHEMBL7344631

CCC(C(=O)Oc1ccc(SCC(C)(C)C(=O)O)cc1)c1ccc2c(c1)CCCC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 7/20 0.37
NFE2L2 Q16236 7/20 0.37
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
PPARG P37231 4/20 0.35
PPARD Q03181 3/20 0.35
AKR1C3 P42330 3/20 0.34
AKR1C2 P52895 3/20 0.34
AKR1C1 Q04828 1/20 0.34
PTGS1 P23219 1/20 0.34
PPARA Q07869 1/20 0.34
RXRB P28702 3/20 0.32
RXRA P19793 2/20 0.32
RXRG P48443 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7345565 0.82 MEN1 (0.45) HSD17B10MEN1KMT2A
Pivalate SCHEMBL7867130 0.82 KEAP1 (0.39) KEAP1NFE2L2ALOX15TSHRHSD17B10
SCHEMBL8848187 0.75 TSHR (0.36) KEAP1NFE2L2ALOX15TSHRHSD17B10
SCHEMBL7344160 0.75 MAPT (0.50) TSHRHSD17B10NPC1RAB9AMEN1
SCHEMBL9746600 0.72 CYP1A2 (0.43) KEAP1NFE2L2ALOX15TSHRHSD17B10
SCHEMBL7343041 0.67 ALDH1A1 (0.43) KEAP1NFE2L2ALOX15TSHRHSD17B10
SCHEMBL9597924 0.65 ELANE (0.59) PPARARAB9AALDH1A1MEN1KMT2A
SCHEMBL7344824 0.64 L3MBTL1 (0.47) HSD17B10MEN1KMT2A
SCHEMBL7874029 0.63 ELANE (0.47) TSHRHSD17B10PPARDRAB9AALDH1A1
SCHEMBL7344761 0.63 AKR1C3 (0.45) TSHRAKR1C3AKR1C2AKR1C1PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US claimed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP claimed
US-6300514-B1 INHIBITING MATRIX METALLOPROTEINASES ONO PHARMACEUTICAL CO., LTD. (JP) 2001-10-09 US disclosed
EP-0994104-A1 ARYL (SULFIDE, SULFOXIDE AND SULFONE) DERIVATIVES AND DRUGS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2000-04-19 EP disclosed
US-5663416-A ENZYME INHIBITORS AS ANTIINFLAMMATORY AGENTS OR DERMATITIS TREATMENT CORTECH INC. 1997-09-02 US disclosed
US-5214191-A OXIDANT SENSITIVE AND INSENSITIVE AROMATIC ESTERS AS INHIBITORS OF HUMAN NEUTROPHIL ELASTASE CORTECH, INC. (US) 1993-05-25 US disclosed
EP-0465802-A1 Oxidant sensitive and insensitive aromatic esters as inhibitors of human neutrophil elastase CORTECH, INC. (US) 1992-01-15 EP disclosed