SCHEMBL7269240

SCHEMBL7269240

CC(C)c1ccc(-c2coc3ccccc3c2=O)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.57
ALDH1A1 P00352 7/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
NPC1 O15118 6/20 0.51
RAB9A P51151 6/20 0.51
MAPT P10636 5/20 0.51
HDAC6 Q9UBN7 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
GAA P10253 2/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
MAPK1 P28482 1/20 0.51
STAT1 P42224 1/20 0.51
CASP3 P42574 1/20 0.51
HTT P42858 1/20 0.51
HIF1A Q16665 1/20 0.51
SENP8 Q96LD8 1/20 0.51
SENP7 Q9BQF6 1/20 0.51

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
SCHEMBL12941620 0.88 MIF (0.58) MIFALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL13268059 0.83 MIF (0.61) MIFALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL13640726 0.83 MIF (0.61) MIFALDH1A1SMN1; SMN2NPC1RAB9A
SCHEMBL27591295 0.82 ALDH1A1 (0.66) ALDH1A1SMN1; SMN2NPC1RAB9AMAPT
Isoflavone SCHEMBL8028 0.82 ALDH1A1 (0.66) MIFALDH1A1SMN1; SMN2NPC1RAB9A
Isoflavone SCHEMBL6290885 0.82 ALDH1A1 (0.66) MIFALDH1A1SMN1; SMN2NPC1RAB9A
Isoflavone SCHEMBL31264756 0.82 ALDH1A1 (0.66) MIFALDH1A1SMN1; SMN2NPC1RAB9A
Isoflavone SCHEMBL6542422 0.82 ALDH1A1 (0.66) MIFALDH1A1SMN1; SMN2NPC1RAB9A
Isoflavone SCHEMBL27523008 0.81 ALDH1A1 (0.65) MIFALDH1A1SMN1; SMN2NPC1RAB9A
Isoflavone SCHEMBL5846515 0.80 ALDH1A1 (0.64) MIFALDH1A1SMN1; SMN2NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002089757-A3 USE OF ISOFLAVONES IN COSMETIC OR DERMATOLOGICAL PREPARATIONS BEIERSDORF AG (DE) 2003-03-13 WO disclosed
WO-2002089757-A2 USE OF ISOFLAVONES IN COSMETIC OR DERMATOLOGICAL PREPARATIONS BEIERSDORF AG (DE) 2002-11-14 WO disclosed
US-6255497-B1 DAIDZIN DERIVATIVES AS ENZYME INHIBITORS OF ALDEHYDE DEHYDROGENASE; USEFUL IN TREATING ALCOHOLISM THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. 2001-07-03 US disclosed
US-5886028-A REDUCING ALCOHOL CONSUMPTION BY ADMINISTERING AN ENZYME INHIBITOR THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1999-03-23 US disclosed
US-5624910-A INHIBITING ALDEHYDE DEHYRDOGENASE ACTIVITY USING DAIDZIN THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1997-04-29 US disclosed
EP-0592583-A1 METHOD FOR THE INHIBITION OF ALDH-I USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1994-04-20 EP disclosed
US-5204369-A METHOD FOR THE INHIBITION OF ALDH-I USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY (US) 1993-04-20 US disclosed
WO-1993000896-A1 METHOD FOR THE INHIBITION OF ALDH-I USEFUL IN THE TREATMENT OF ALCOHOL DEPENDENCE OR ALCOHOL ABUSE THE ENDOWMENT FOR RESEARCH IN HUMAN BIOLOGY, INC. (US) 1993-01-21 WO disclosed