SCHEMBL6200895

SCHEMBL6200895

C/C=C/C=C/C/C=C/C=C/C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
TRPA1 O75762 1/20 0.33
MAPK1 P28482 1/20 0.33
CNR2 P34972 3/20 0.30
CNR1 P21554 1/20 0.30
PPARG P37231 1/20 0.30
PPARD Q03181 1/20 0.30
PPARA Q07869 1/20 0.30

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
SCHEMBL6200897 1.00 ALDH1A1 (0.37) ALDH1A1TRPA1MAPK1CNR2CNR1
SCHEMBL18300402 0.96 ALDH1A1 (0.42) ALDH1A1TRPA1MAPK1CNR2CNR1
SCHEMBL18300403 0.96 ALDH1A1 (0.42) ALDH1A1TRPA1MAPK1CNR2CNR1
SCHEMBL1113998 0.93
SCHEMBL861564 0.90 ALDH1A1 (0.38) ALDH1A1CNR2CNR1
SCHEMBL3108226 0.90 ALDH1A1 (0.38) ALDH1A1CNR2CNR1
SCHEMBL3108228 0.90 ALDH1A1 (0.38) ALDH1A1CNR2CNR1
SCHEMBL861563 0.90 ALDH1A1 (0.38) ALDH1A1CNR2CNR1
SCHEMBL2548550 0.86
SCHEMBL19973836 0.85

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-1268457-A4 REWORKABLE COMPOSITION OF OXIRANE(S) OR THIIRANE(S)-CONTAINING RESIN AND CURING AGENT LOCTITE CORP (US) 2005-07-20 EP claimed
JP-2003529643-A 2003-10-07 JP claimed
EP-1268457-A1 REWORKABLE COMPOSITION OF OXIRANE(S) OR THIIRANE(S)-CONTAINING RESIN AND CURING AGENT LOCTITE CORPORATION (US) 2003-01-02 EP claimed
WO-2001074798-A1 REWORKABLE COMPOSITION OF OXIRANE(S) OR THIIRANE(S)-CONTAINING RESIN AND CURING AGENT LOCTITE CORPORATION (US) 2001-10-11 WO claimed