SCHEMBL13325989

SCHEMBL13325989

O=C(O)CC1CNc2cccc(O)c21

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 1/20 0.35
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ L3MBTL1 Q9Y468 1/20 0.34
▸ PPARG P37231 1/20 0.33
▸ PPARD Q03181 1/20 0.33

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
SCHEMBL15321258 0.85 EGFR (0.38) EGFR
Hydrochloric Acid SCHEMBL15321017 0.84 EGFR (0.37) EGFR
SCHEMBL16004612 0.83 EGFR (0.37) EGFR
SCHEMBL3964364 0.79 EGFR (0.47) EGFRTP53L3MBTL1PPARGPPARD
SCHEMBL2605809 0.79 EGFR (0.47) EGFRTP53L3MBTL1PPARGPPARD
SCHEMBL3958089 0.79 EGFR (0.47) EGFRTP53L3MBTL1PPARGPPARD
SCHEMBL261041 0.79 CHRNB2 (0.40) CHRNB2CHRNA4L3MBTL1
Citric Acid SCHEMBL15321217 0.76 ALDH1A1 (0.35) EGFR
Citric Acid SCHEMBL15321213 0.76 ALDH1A1 (0.35) EGFR
SCHEMBL15321059 0.75 — —

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-20100158842-A1 NATURAL SKIN WHITENER: 4-HYDROXY-OXINDOLE-3-ACETIC ACID SPECTRUM DYNAMICS LLC 2010-06-24 — — US disclosed
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