SCHEMBL10940033

SCHEMBL10940033

Cc1ccccc1C(=O)c1cc(C(=O)O)c[nH]1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 12/20 0.67
▸ MAPK14 Q16539 4/20 0.51
▸ HTT P42858 4/20 0.50
▸ CYP2C9 P11712 2/20 0.50
▸ CYP1A2 P05177 2/20 0.50
▸ CYP2C19 P33261 2/20 0.50
▸ KMT2A Q03164 2/20 0.50
▸ LMNA P02545 1/20 0.50
▸ MAPK11 Q15759 1/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2D6 P10635 1/20 0.50
▸ NOTUM Q6P988 1/20 0.49
▸ POLB P06746 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HPGD P15428 1/20 0.47
▸ MTNR1A P48039 1/20 0.44
▸ MTNR1B P49286 1/20 0.44
▸ GAA P10253 1/20 0.44

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
SCHEMBL29190946 0.88 ALDH1A1 (0.76) ALDH1A1MAPK14HTTCYP2C9CYP1A2
SCHEMBL10937651 0.84 ALDH1A1 (0.62) ALDH1A1MAPK14HTTCYP2C9CYP1A2
SCHEMBL10939194 0.81 ALDH1A1 (0.67) ALDH1A1HTTKMT2ALMNAPOLB
SCHEMBL10940933 0.81 MAPK14 (0.59) ALDH1A1MAPK14HTTKMT2APOLB
SCHEMBL10939397 0.80 ALDH1A1 (0.58) ALDH1A1HTTCYP2C9KMT2ALMNA
SCHEMBL29191103 0.78 ALDH1A1 (0.70) ALDH1A1MAPK14HTTCYP2C9CYP1A2
SCHEMBL27613844 0.76 POLB (0.54) ALDH1A1MAPK14HTTCYP2C9KMT2A
SCHEMBL10936789 0.76 SRD5A2 (0.58) ALDH1A1HTTKMT2ALMNANOTUM
SCHEMBL10942146 0.75 POLB (0.54) ALDH1A1KMT2AMEN1NOTUMPOLB
SCHEMBL2518515 0.74 AKR1C3 (0.61) ALDH1A1MAPK14HTTCYP2C9MAPK11

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
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