SCHEMBL2172054

SCHEMBL2172054

Cc1cc(C(C)C(=O)O)ccc1NC(N)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 7/20 0.48
▸ AKR1C2 P52895 7/20 0.48
▸ PTGS2 P35354 6/20 0.45
▸ PTGS1 P23219 7/20 0.43
▸ MAPT P10636 4/20 0.43
▸ CYP1A2 P05177 3/20 0.43
▸ CYP2C9 P11712 3/20 0.43
▸ CYP2C19 P33261 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ SLC22A6 Q4U2R8 2/20 0.43
▸ HPGD P15428 2/20 0.43
▸ HIF1A Q16665 2/20 0.43
▸ FABP2 P12104 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ AKR1C4 P17516 1/20 0.43
▸ ADRA2B P18089 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ HTR2C P28335 1/20 0.43

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
SCHEMBL2170716 0.88 AKR1C3 (0.45) AKR1C3AKR1C2PTGS2PTGS1MAPT
SCHEMBL7372312 0.82 KMT2A (0.47) MAPTCYP1A2CYP2C9CYP2C19LMNA
SCHEMBL6973224 0.77 PPARA (0.43) MAPTCYP1A2CYP2C9CYP2C19LMNA
SCHEMBL12167639 0.77 AKR1C3 (0.49) AKR1C3AKR1C2
SCHEMBL3680291 0.76 AKR1C3 (0.57) AKR1C3AKR1C2PTGS2PTGS1CYP1A2
SCHEMBL6982722 0.76 KEAP1 (0.45) AKR1C3AKR1C2MAPTCYP1A2CYP2C9
SCHEMBL2172516 0.75 KIF11 (0.64) AKR1C3AKR1C2PTGS2PTGS1MAPT
SCHEMBL2818448 0.75 KIF11 (0.64) AKR1C3AKR1C2PTGS2PTGS1MAPT
SCHEMBL31213428 0.74 SLC1A3 (0.54) MAPTCYP1A2CYP2C9CYP2C19MEN1
SCHEMBL31226789 0.74 MEN1 (0.67) MAPTLMNAMEN1KMT2AHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2346841-A2 2-ARYL-PROPIONIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Dompe S.p.A. (IT) 2011-07-27 — — EP disclosed
WO-2010031835-A2 2-ARYL-PROPIONIC ACIDS AND DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMPE' S.P.A. (IT) 2010-03-25 — — WO disclosed
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