SCHEMBL6202322

SCHEMBL6202322

C=CC=CCC=CCCCC=C

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
TRPV1 Q8NER1 1/20 0.34
ALOX12 P18054 2/20 0.31
OXER1 Q8TDS5 1/20 0.31
EP300 Q09472 1/20 0.30
KAT2B Q92831 1/20 0.30
KAT5 Q92993 1/20 0.30
KAT8 Q9H7Z6 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
SCHEMBL6202318 1.00 TSHR (0.35) TSHRALDH1A1TRPV1ALOX12OXER1
SCHEMBL16103148 0.88 ALOX12 (0.33) TSHRALDH1A1TRPV1ALOX12OXER1
SCHEMBL16103147 0.88 ALOX12 (0.33) TSHRALDH1A1TRPV1ALOX12OXER1
SCHEMBL5610514 0.85
SCHEMBL1114072 0.85
SCHEMBL11064340 0.84 PPARA (0.37) TSHRALDH1A1TRPV1ALOX12OXER1
SCHEMBL11064344 0.84 PPARA (0.37) TSHRALDH1A1TRPV1ALOX12OXER1
SCHEMBL136668 0.79 TSHR (0.41) TSHRALDH1A1TRPV1EP300KAT2B
SCHEMBL7752343 0.79 PPARA (0.34)
SCHEMBL1288145 0.79 TSHR (0.43) TSHRALDH1A1

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