SCHEMBL9818920

SCHEMBL9818920

COc1ccc(CC2CC(CC(=O)O)c3ccccc3O2)cc1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
PSMB5 P28074 1/20 0.45
ALDH1A1 P00352 1/20 0.44
FFAR1 O14842 4/20 0.43
NPC1 O15118 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
SIRT2 Q8IXJ6 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ATM Q13315 1/20 0.40
PPARD Q03181 4/20 0.40
PPARG P37231 3/20 0.40
MIF P14174 1/20 0.40

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
SCHEMBL9818925 1.00 MEN1 (0.48) MEN1KMT2APSMB5ALDH1A1FFAR1
SCHEMBL9819040 0.88 LTB4R (0.43) MEN1KMT2APSMB5ALDH1A1FFAR1
SCHEMBL9819044 0.88 LTB4R (0.43) MEN1KMT2APSMB5ALDH1A1FFAR1
SCHEMBL9818900 0.85 MAOB (0.41) FFAR1NPC1RAB9ASMN1; SMN2PPARD
SCHEMBL9818902 0.85 MAOB (0.41) FFAR1NPC1RAB9ASMN1; SMN2PPARD
SCHEMBL9819065 0.80 FFAR1 (0.41) FFAR1PPARDPPARG
SCHEMBL9819060 0.80 FFAR1 (0.41) FFAR1PPARDPPARG
SCHEMBL9819041 0.79 HTT (0.40) MEN1KMT2AALDH1A1FFAR1HPGD
SCHEMBL9819039 0.79 HTT (0.40) MEN1KMT2AALDH1A1FFAR1HPGD
SCHEMBL9818756 0.77 HTT (0.42) MEN1KMT2AALDH1A1FFAR1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0230379-B1 CHROMAN- AND THIOCHROMAN-4-ACETIC ACIDS USEFUL IN THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1991-04-03 EP disclosed