SCHEMBL11371289

SCHEMBL11371289

Cc1cccc(Nc2c(CC(=O)OCCOCCO)csc2Cl)c1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 4/20 0.38
▸ KMT2A Q03164 3/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ LMNA P02545 3/20 0.37
▸ CYP2C9 P11712 3/20 0.37
▸ USP2 O75604 1/20 0.37
▸ TTR P02766 1/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ NLRP3 Q96P20 1/20 0.35
▸ RXRA P19793 1/20 0.35
▸ RXRB P28702 1/20 0.35
▸ PPARG P37231 1/20 0.35
▸ RXRG P48443 1/20 0.35
▸ PPARD Q03181 1/20 0.35
▸ PPARA Q07869 1/20 0.35
▸ TDP1 Q9NUW8 2/20 0.34

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
SCHEMBL11350710 0.80 PTGS2 (0.58) PTGS2KMT2AMAPTMEN1ALDH1A1
SCHEMBL11369388 0.78 PTGS2 (0.47) PTGS2KMT2ALMNACYP2C9USP2
SCHEMBL11386345 0.78 MEN1 (0.38) PTGS2KMT2AMAPTMEN1ALDH1A1
SCHEMBL6950571 0.73 TTR (0.67) PTGS2KMT2ALMNACYP2C9USP2
SCHEMBL13800457 0.73 TTR (0.67) PTGS2KMT2ALMNACYP2C9USP2
SCHEMBL688218 0.73 TTR (0.48) PTGS2KMT2ALMNACYP2C9USP2
SCHEMBL11374498 0.71 PTGS2 (0.49) PTGS2KMT2AALDH1A1LMNACYP2C9
SCHEMBL11373541 0.69 KMT2A (0.39) PTGS2KMT2AMAPTMEN1ALDH1A1
SCHEMBL25720185 0.68 PTGS2 (0.57) PTGS2KMT2ALMNACYP2C9USP2
SCHEMBL13688511 0.68 PTGS2 (0.66) PTGS2KMT2ALMNACYP2C9USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4272507-A Phenylaminothiophenacetic acids, their synthesis, compositions and use BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-06-09 — — US disclosed
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