SCHEMBL9845455

SCHEMBL9845455

O=C(O)CCc1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.70
CA2 P00918 1/20 0.70
ALDH1A1 P00352 4/20 0.60
FFAR1 O14842 8/20 0.59
NPSR1 Q6W5P4 1/20 0.58
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
KEAP1 Q14145 1/20 0.57
MAPT P10636 1/20 0.57
IDO1 P14902 1/20 0.51
FFAR4 Q5NUL3 1/20 0.50
CYP26B1 Q9NR63 1/20 0.49
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
Phenyl Propionic Acid SCHEMBL27717088 0.89 KEAP1 (0.70) CA1CA2ALDH1A1FFAR1KEAP1
SCHEMBL31147008 0.85 MAPT (0.62) CA1CA2ALDH1A1LMNAMAPT
SCHEMBL10789823 0.85 MAPT (0.62) CA1CA2ALDH1A1LMNAMAPT
SCHEMBL27738091 0.85 FFAR1 (0.58) CA1CA2ALDH1A1FFAR1KEAP1
SCHEMBL6729573 0.83 FFAR1 (0.64) CA1CA2ALDH1A1FFAR1KEAP1
SCHEMBL11583429 0.83 LMNA (0.56) CA1CA2ALDH1A1LMNATSHR
SCHEMBL69746 0.82 FFAR1 (0.81) CA1CA2FFAR1LMNAKEAP1
SCHEMBL1429021 0.82 CA1 (0.68) CA1CA2ALDH1A1FFAR1NPSR1
SCHEMBL4964212 0.82 CA2 (1.00) CA1CA2ALDH1A1FFAR1NPSR1
SCHEMBL40250 0.82 CA1 (0.68) CA1CA2ALDH1A1FFAR1NPSR1

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
CN-111607076-A Antistatic polyester composition, preparation method thereof and polyester film 东丽纤维研究所(中国)有限公司 2020-09-01 CN disclosed
CN-109970920-B Sulfonic acid modified polycarboxylic acid water reducing agent and preparation method thereof 科之杰新材料集团有限公司 2020-07-03 CN disclosed
CN-104532254-B Compound ion liquid steel corrosion inhibiter and application 天津工业大学 2017-06-23 CN disclosed
EP-0438381-A1 Stabilization of dyes on polyamide fibres CIBA-GEIGY AG (CH) 1991-07-24 EP disclosed