SCHEMBL7322935

SCHEMBL7322935

CC(C)(C)C(C=O)Oc1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.40
ATM Q13315 1/20 0.40
MTNR1A P48039 1/20 0.35
MTNR1B P49286 1/20 0.35
CA4 P22748 1/20 0.34
ALDH1A3 P47895 1/20 0.34
GAA P10253 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
PKM P14618 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 4/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
LMNA P02545 3/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 2/20 0.33
TP53 P04637 1/20 0.33

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
SCHEMBL11000388 0.83 MAPK1 (0.36) L3MBTL1ATMMTNR1AMTNR1BCA4
SCHEMBL11004704 0.83 MAPK1 (0.36) L3MBTL1ATMMTNR1AMTNR1BCA4
SCHEMBL10365895 0.82 ALDH1A3 (0.37) ALDH1A3KMT2AMEN1ALDH1A1LMNA
SCHEMBL19876788 0.80 PPARG (0.34) L3MBTL1MTNR1AMTNR1BGAAKMT2A
SCHEMBL9490507 0.77 ATM (0.38) L3MBTL1ATMMTNR1AMTNR1BCA4
SCHEMBL11005849 0.77 KCNN4 (0.34) KMT2AMEN1ALDH1A1PPARGPPARA
SCHEMBL11002077 0.77 PPARG (0.38) CYP1A2CYP2C19KMT2AMEN1PPARG
SCHEMBL9569520 0.76 ATM (0.30) L3MBTL1ATM
Biphenyl SCHEMBL28762568 0.74 ALDH1A1 (0.35) L3MBTL1ATMGAACYP1A2CYP2C9
SCHEMBL11003972 0.74 PPARG (0.38) KMT2AMEN1PPARGPPARACASP1

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
EP-0272671-B1 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD (CH) 1994-03-16 EP disclosed
EP-0272671-A2 Aryloxy and arylacyloxy methyl ketones as thiol protease inhibitors SANDOZ LTD. (CH) 1988-06-29 EP disclosed