SCHEMBL10939136

SCHEMBL10939136

COC(=O)c1c[nH]c(C(=O)c2ccc(OC)c(OC)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPT P10636 7/20 0.57
GAA P10253 3/20 0.57
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 4/20 0.49
LMNA P02545 2/20 0.49
MEN1 O00255 2/20 0.49
ATM Q13315 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA4 P22748 1/20 0.49
CA6 P23280 1/20 0.49
CA7 P43166 1/20 0.49
TPMT P51580 1/20 0.49

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
SCHEMBL10936378 0.81 TDP1 (0.58) CYP2C9MAPTGAAALDH1A1KMT2A
SCHEMBL4529606 0.80 CYP1A2 (0.79) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10946156 0.79 NPC1 (0.61) MAPTGAAALDH1A1KMT2ALMNA
SCHEMBL10940646 0.79 ALDH1A1 (0.55) MAPTGAAALDH1A1KMT2ALMNA
Veratric Acid Methyl Ester SCHEMBL2050732 0.79 MAPT (0.86) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
Veratric Acid Methyl Ester SCHEMBL29573244 0.79 MAPT (0.86) TSHRCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL10936334 0.79 ALDH1A1 (0.57) TSHRCYP1A2CYP3A4CYP2C9MAPT
SCHEMBL10940684 0.78 ALDH1A1 (0.49) TSHRGAAALDH1A1KMT2ALMNA
SCHEMBL10941178 0.77 EGFR (0.52) TSHRMAPTGAAALDH1A1LMNA
SCHEMBL10941698 0.77 GPR17 (0.47) TSHRGAAALDH1A1KMT2ALMNA

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