SCHEMBL16752486

SCHEMBL16752486

Cc1c(Cl)cccc1Nc1ccccc1C(=O)NC(CO)(CO)CO

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MT-CO2 P00403 15/20 0.63
▸ PTGS2 P35354 4/20 0.63
▸ MEN1 O00255 1/20 0.63
▸ USP2 O75604 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ TTR P02766 1/20 0.63
▸ PLA2G1B P04054 1/20 0.63
▸ CYP1A2 P05177 1/20 0.63
▸ PGR P06401 1/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ HTR1A P08908 1/20 0.63
▸ ADRA2A P08913 1/20 0.63
▸ ADORA3 P0DMS8 1/20 0.63
▸ AR P10275 1/20 0.63
▸ MAPT P10636 1/20 0.63
▸ CYP2C9 P11712 1/20 0.63
▸ HPGD P15428 1/20 0.63
▸ HTR2A P28223 1/20 0.63
▸ CYP2C19 P33261 1/20 0.63
▸ ADRA1A P35348 1/20 0.63

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
SCHEMBL16752440 0.87 PTGS2 (0.61) MT-CO2PTGS2MEN1USP2LMNA
SCHEMBL16752441 0.83 DHODH (0.67) MT-CO2PTGS2MEN1USP2LMNA
SCHEMBL10518206 0.81 MT-CO2 (0.73) MT-CO2PTGS2MEN1USP2LMNA
SCHEMBL16752430 0.79 PTGS2 (0.65) MT-CO2PTGS2MEN1USP2LMNA
Tolfenamic Acid SCHEMBL29389998 0.78 MT-CO2 (1.00) MT-CO2PTGS2MEN1USP2LMNA
SCHEMBL12608896 0.78 MT-CO2 (0.77) MT-CO2PTGS2MEN1USP2LMNA
Tolfenamic Acid SCHEMBL25190 0.78 MT-CO2 (1.00) MT-CO2PTGS2MEN1USP2LMNA
Tolfenamic Acid SCHEMBL29484181 0.78 MT-CO2 (1.00) MT-CO2PTGS2MEN1USP2LMNA
Tolfenamic Acid SCHEMBL8060884 0.78 MT-CO2 (1.00) MT-CO2PTGS2MEN1USP2LMNA
SCHEMBL12049903 0.77 MT-CO2 (0.71) MT-CO2PTGS2MEN1USP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2878592-B1 SYNTHESIS OF AMIDE DERIVATIVES OF SOME NONSTEROIDAL ANTIINFLAMMATORY DRUGS AS POTENTIAL PRO-DRUGS KUECUEKGUEZEL ILKAY (TR) 2019-02-20 — — EP claimed
EP-2878592-B1 SYNTHESIS OF AMIDE DERIVATIVES OF SOME NONSTEROIDAL ANTIINFLAMMATORY DRUGS AS POTENTIAL PRO-DRUGS KUECUEKGUEZEL ILKAY (TR) 2019-02-20 — — EP disclosed
EP-2878592-B1 SYNTHESIS OF AMIDE DERIVATIVES OF SOME NONSTEROIDAL ANTIINFLAMMATORY DRUGS AS POTENTIAL PRO-DRUGS KUECUEKGUEZEL ILKAY (TR) 2019-02-20 — — EP disclosed
EP-2878592-A1 Synthesis of amide derivatives of some nonsteroidal antiinflammatory drugs as potential pro-drugs Kücükgüzel, Ilkay (TR) 2015-06-03 — — EP disclosed
EP-2878592-A1 Synthesis of amide derivatives of some nonsteroidal antiinflammatory drugs as potential pro-drugs Kücükgüzel, Ilkay (TR) 2015-06-03 — — EP disclosed
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