SCHEMBL7874020

SCHEMBL7874020

CC(C)(C)OC(=O)CCSc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.48
MAOB P27338 1/20 0.48
LTA4H P09960 1/20 0.47
FFAR1 O14842 1/20 0.47
FFAR4 Q5NUL3 1/20 0.47
NR4A1 P22736 1/20 0.47
NR4A2 P43354 1/20 0.47
NR4A3 Q92570 1/20 0.47
PLA2G4B P0C869 1/20 0.45
PARP10 Q53GL7 1/20 0.45
PLA2G2A P14555 1/20 0.45
EGFR P00533 2/20 0.44
PPARG P37231 1/20 0.44
LMNA P02545 1/20 0.44
CYP1A2 P05177 1/20 0.44
PTGS1 P23219 1/20 0.44
SLC6A2 P23975 1/20 0.44

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
SCHEMBL7862175 0.81 MEN1 (0.57) MEN1KMT2AMAOBLTA4HFFAR1
SCHEMBL7874072 0.80 MTNR1A (0.52) KDM4EMAPTLMNANPC1RAB9A
SCHEMBL7868844 0.80 HSP90AA1 (0.48) KMT2AKDM4EMAPTLMNANPC1
SCHEMBL13225831 0.79 FFAR1 (0.56) MAOBLTA4HFFAR1FFAR4PPARG
SCHEMBL5947113 0.78 FFAR1 (0.66) FFAR1FFAR4PPARG
SCHEMBL3990610 0.77 MEN1 (0.55) MEN1KMT2AMAOBFFAR1FFAR4
SCHEMBL25273703 0.77 MAOB (0.50) MEN1KMT2AKDM4EMAPTMAOB
SCHEMBL7869987 0.77 LMNA (0.57) KMT2AMAOBLTA4HFFAR1FFAR4
SCHEMBL4035733 0.76 BCHE (0.49) LTA4HFFAR1FFAR4ALOX5
SCHEMBL12470718 0.76 ALDH1A1 (0.60) KDM4EMAPTLMNACYP1A2CYP2C19

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
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