SCHEMBL16253656

SCHEMBL16253656

C=C=Cc1cc(CC)cc(C(CC)(CC)CC)c1OC

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 1/20 0.38
▸ TUBB1 Q9H4B7 1/20 0.31

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
SCHEMBL15002586 0.87 PTGS2 (0.39) PTGS2TUBB1
SCHEMBL16253612 0.86 PTGS2 (0.38) PTGS2TUBB1
SCHEMBL14999488 0.82 — —
SCHEMBL16253660 0.80 — —
SCHEMBL16253655 0.79 PTGS2 (0.42) PTGS2TUBB1
SCHEMBL16253653 0.79 PTGS2 (0.42) PTGS2TUBB1
SCHEMBL17761938 0.79 PTGS2 (0.42) PTGS2TUBB1
SCHEMBL16253609 0.77 CA1 (0.32) —
SCHEMBL16253657 0.76 PTGS2 (0.37) PTGS2TUBB1
SCHEMBL16253658 0.75 PTGS2 (0.39) PTGS2TUBB1

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-20140343246-A1 CATALYSTS AND METHODS FOR POLYMER SYNTHESIS SAUDI ARAMCO TECHNOLOGIES COMPANY (SA) 2014-11-20 — — US disclosed
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