SCHEMBL6131909

SCHEMBL6131909

CCON(O)c1ccccc1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 3/20 0.37
CA12 O43570 2/20 0.37
CA14 Q9ULX7 2/20 0.37
CA1 P00915 2/20 0.37
CA7 P43166 1/20 0.37
CA9 Q16790 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.35
TSHR P16473 3/20 0.35
GAA P10253 4/20 0.35
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
KDM4E B2RXH2 3/20 0.35
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
GMNN O75496 1/20 0.35
ALDH1A1 P00352 1/20 0.35
EGFR P00533 1/20 0.35
FYN P06241 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL2204568 0.72 LMNA (0.39) CA2CA12CA14CA1TSHR
SCHEMBL6132057 0.72 GABRA1 (0.39) TSHRGAALMNAKDM4EALDH1A1
SCHEMBL387883 0.70 ALDH1A1 (0.42) CA2CA12CA14CA1TSHR
SCHEMBL10333062 0.70 ALDH1A1 (0.42) CA2CA12CA14CA1TSHR
SCHEMBL27682040 0.69 ALDH1A1 (0.45) CA2CA12CA14CA1CA7
SCHEMBL6821782 0.68 ALDH1A1 (0.39) CA2CA12CA14TSHRGAA
SCHEMBL4174589 0.68 ALDH1A1 (0.39) CA2CA12CA14TSHRGAA
SCHEMBL7196902 0.68 CA1 (0.46) CA2CA12CA14CA1CA7
SCHEMBL7531399 0.68 CA1 (0.50) CA2CA12CA14CA1CA7
SCHEMBL7191106 0.68 CA12 (0.55) CA2CA12CA14CA1CA7

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
EP-1032559-A4 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMA INC (US) 2005-05-25 EP disclosed
US-6479495-B1 SIMULTANEOUSLY TREATING DEPRESSION AND MEMORY DYSFUNCTION IN MAMMALS SUFFERING FROM MEMORY DYSFUNCTION AND DEPRESSION AVENTIS PHARMACEUTICALS INC. 2002-11-12 US disclosed
EP-1032559-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 2000-09-06 EP disclosed
WO-1999016746-A1 AMINOALKYLPHENOL DERIVATIVES AND RELATED COMPOUNDS AVENTIS PHARMACEUTICALS INC. (US) 1999-04-08 WO disclosed