SCHEMBL10940684

SCHEMBL10940684

COC(=O)c1c[nH]c(C(=O)c2cc(OC)cc(OC)c2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
BAZ2B Q9UIF8 1/20 0.49
BAZ2A Q9UIF9 1/20 0.49
GAA P10253 2/20 0.46
TUBB1 Q9H4B7 1/20 0.46
LMNA P02545 1/20 0.46
POLB P06746 3/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
HTT P42858 3/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL10939230 0.86 TUBB1 (0.47) BAZ2BBAZ2ATUBB1POLBCA1
SCHEMBL70354 0.79 BAZ2B (0.71) ALDH1A1BAZ2BBAZ2AGAALMNA
SCHEMBL10936334 0.79 ALDH1A1 (0.57) ALDH1A1BAZ2BBAZ2AGAALMNA
SCHEMBL10936378 0.78 TDP1 (0.58) ALDH1A1BAZ2BBAZ2AGAALMNA
SCHEMBL10939136 0.78 TSHR (0.58) ALDH1A1BAZ2BBAZ2AGAALMNA
Methyl 3,5-Dimethoxybenzoate SCHEMBL204865 0.77 CA1 (0.61) ALDH1A1GAALMNAPOLBCA1
SCHEMBL10946156 0.77 NPC1 (0.61) ALDH1A1BAZ2BBAZ2AGAALMNA
SCHEMBL10940646 0.77 ALDH1A1 (0.55) ALDH1A1BAZ2BBAZ2AGAALMNA
SCHEMBL409737 0.76 BAZ2B (0.57) ALDH1A1BAZ2BBAZ2AGAALMNA
SCHEMBL10936348 0.76 GAA (0.46) ALDH1A1GAATUBB1LMNAPOLB

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
US-4511575-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4511576-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4351843-A LOWERING BLOOD GLUCOSE PFIZER INC. (US) 1982-09-28 US disclosed
US-4282242-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1981-08-04 US disclosed