SCHEMBL11098754

SCHEMBL11098754

COc1cc(CN(Cc2ccccc2)C(=O)O)ccc1O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.59
TSHR P16473 3/20 0.59
TDP1 Q9NUW8 2/20 0.59
ALDH1A1 P00352 1/20 0.59
NFKB1 P19838 1/20 0.59
ALOX5 P09917 2/20 0.59
TRPV1 Q8NER1 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.53
KDM4E B2RXH2 1/20 0.52
MAPT P10636 1/20 0.52
OR51E2 Q9H255 1/20 0.51
POLB P06746 1/20 0.51
LMNA P02545 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
BCHE P06276 1/20 0.51
ACHE P22303 1/20 0.51

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
SCHEMBL29085512 0.86 L3MBTL1 (0.57) GAATSHRTDP1ALDH1A1NFKB1
SCHEMBL2351166 0.83 ALDH1A1 (0.54) GAATSHRTDP1ALDH1A1NFKB1
SCHEMBL27755939 0.82 GAA (0.52) GAATSHRTDP1ALDH1A1NFKB1
SCHEMBL21623927 0.82 GAA (0.55) GAATSHRTDP1ALDH1A1NFKB1
SCHEMBL11105252 0.81 CYP1A2 (0.57) ALDH1A1TRPV1
SCHEMBL11101082 0.81 CYP1A2 (0.57) ALDH1A1TRPV1
SCHEMBL12803185 0.81 GAA (0.54) GAATSHRTDP1ALDH1A1NFKB1
SCHEMBL13131818 0.79 TAAR1 (0.61) GAATSHRTDP1ALDH1A1NFKB1
SCHEMBL4888099 0.79 ALDH1A1 (0.63) ALDH1A1
SCHEMBL4000923 0.78 CNR2 (0.62) GAATSHRTDP1ALDH1A1NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0068592-B1 NOVEL CARBAMATE DERIVATIVES THE PROCTER & GAMBLE COMPANY (US) 1984-10-17 EP disclosed
US-4443473-A ANALGESICS, ANTIALLERGENS THE PROCTER & GAMBLE COMPANY (US) 1984-04-17 US disclosed
EP-0068592-A1 Novel carbamate derivatives THE PROCTER & GAMBLE COMPANY (US) 1983-01-05 EP disclosed