SCHEMBL7115458

SCHEMBL7115458

CCCCC(I)C(=O)Oc1ccccc1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ RECQL P46063 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ TSHR P16473 2/20 0.38
▸ CA2 P00918 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CA12 O43570 2/20 0.36
▸ CA9 Q16790 2/20 0.36
▸ ACLY P53396 1/20 0.35
▸ PTGS2 P35354 3/20 0.35
▸ MMP1 P03956 3/20 0.34
▸ MMP7 P09237 3/20 0.34
▸ MMP12 P39900 3/20 0.34
▸ MMP13 P45452 3/20 0.34
▸ ACE P12821 2/20 0.34
▸ ELANE P08246 1/20 0.34
▸ LMNA P02545 1/20 0.34
▸ FAAH O00519 1/20 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
SCHEMBL5189237 0.85 CA2 (0.46) KDM4EMEN1RECQLKMT2ATSHR
SCHEMBL10633182 0.81 PRSS1 (0.40) KDM4EMEN1RECQLKMT2ATSHR
SCHEMBL10636059 0.81 PRSS1 (0.40) KDM4EMEN1RECQLKMT2ATSHR
SCHEMBL10636373 0.80 PRSS1 (0.40) KDM4EMEN1RECQLKMT2ATSHR
SCHEMBL10636634 0.80 PRSS1 (0.40) KDM4EMEN1RECQLKMT2ATSHR
SCHEMBL10633340 0.80 PRSS1 (0.40) KDM4EMEN1RECQLKMT2ATSHR
SCHEMBL9566688 0.80 PRSS1 (0.40) KDM4EMEN1RECQLKMT2ATSHR
SCHEMBL6152590 0.79 KDM4E (0.60) KDM4EMEN1RECQLKMT2ACA12
SCHEMBL7030621 0.78 KDM4E (0.55) KDM4EMEN1RECQLKMT2ACA12
SCHEMBL9351922 0.78 ALDH1A1 (0.54) KDM4EMEN1RECQLKMT2ATSHR

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-1292566-A2 PROCESS FOR HYDROLYZING AMIDO-CARBOXYLIC ACID ESTERS INTO AMIDO-CARBOXYLIC ACIDS EASTMAN CHEMICAL COMPANY (US) 2003-03-19 — — EP disclosed
WO-2001092209-A2 PROCESS FOR HYDROLYZING AMIDO-CARBOXYLIC ACID ESTERS INTO AMIDO-CARBOXYLIC ACIDS EASTMAN CHEMICAL COMPANY (US) 2001-12-06 — — WO disclosed
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