SCHEMBL9818700

SCHEMBL9818700

COC(=O)c1ccc2c(c1)C(=O)CC(Cc1ccccc1)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.43
HTR1A P08908 1/20 0.43
ABCB1 P08183 2/20 0.43
AR P10275 2/20 0.43
ABCG2 Q9UNQ0 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 2/20 0.40
RAB9A P51151 2/20 0.40
ALDH1A1 P00352 2/20 0.40
GSK3B P49841 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALOX5 P09917 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
HSP90AA1 P07900 1/20 0.39
HTT P42858 1/20 0.39
PPM1D O15297 1/20 0.38
NPC1 O15118 1/20 0.38

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
SCHEMBL8464272 0.85 AR (0.45) ARSMN1; SMN2MAPTRAB9AALDH1A1
SCHEMBL30726843 0.83 SMN1; SMN2 (0.41) ABCB1ARABCG2MEN1KMT2A
SCHEMBL2260379 0.78 PBRM1 (0.57) ABCB1ARABCG2MEN1KMT2A
SCHEMBL12366000 0.78 PBRM1 (0.57) ABCB1ARABCG2MEN1KMT2A
SCHEMBL12365976 0.78 PBRM1 (0.57) ABCB1ARABCG2MEN1KMT2A
SCHEMBL9520020 0.78 CYP19A1 (0.51) LOXL2
SCHEMBL9818896 0.77 PBRM1 (0.56) SIGMAR1HTR1AABCB1ARABCG2
SCHEMBL1979508 0.77 PBRM1 (0.56) SIGMAR1HTR1AABCB1ARABCG2
SCHEMBL9819034 0.77 SIGMAR1 (0.49) SIGMAR1HTR1AABCB1ARABCG2
SCHEMBL642185 0.76 HPGD (0.50) ABCB1MEN1KMT2AMAPTALDH1A1

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 4 patents. 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
US-4853410-A Hydroxyacetic acid derivatives for the treatment of diabetic complications PFIZER INC. (US) 1989-08-01 US disclosed
WO-1987004344-A1 HYDROXYACETIC ACID DERIVATIVES FOR THE TREATMENT OF DIABETIC COMPLICATIONS PFIZER INC. (US) 1987-07-30 WO disclosed
EP-0230379-A2 Chroman- and thiochroman-4-acetic acids useful in the treatment of diabetic complications PFIZER INC. (US) 1987-07-29 EP disclosed