SCHEMBL3860095

SCHEMBL3860095

C[C]C(c1ccc(OC#N)cc1)c1ccc(OC#N)cc1

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.35
▸ GAA P10253 3/20 0.35
▸ LMNA P02545 1/20 0.35
▸ PBRM1 Q86U86 1/20 0.34
▸ HTT P42858 1/20 0.33

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
SCHEMBL17042294 0.82 PBRM1 (0.38) ALDH1A1GAAPBRM1
SCHEMBL15224589 0.79 PBRM1 (0.38) ALDH1A1GAAPBRM1
SCHEMBL29913553 0.78 ESR1 (0.39) ALDH1A1GAALMNAPBRM1
SCHEMBL27657818 0.78 MEN1 (0.38) ALDH1A1GAAHTT
SCHEMBL139926 0.78 ESR1 (0.41) ALDH1A1GAALMNAPBRM1
SCHEMBL3225154 0.78 SLC2A1 (0.38) ALDH1A1GAAPBRM1
SCHEMBL31166667 0.77 ESR1 (0.39) ALDH1A1GAAPBRM1
SCHEMBL24787 0.76 CA1 (0.32) ALDH1A1
SCHEMBL15224820 0.76 PBRM1 (0.36) ALDH1A1GAAPBRM1
SCHEMBL28913532 0.75 TSHR (0.46) ALDH1A1GAALMNAPBRM1

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-1979397-A4 SHAPE MEMORY CYANATE ESTER COPOLYMERS CORNERSTONE RES GROUP INC (US) 2009-04-08 — — EP claimed
EP-1979397-A2 SHAPE MEMORY CYANATE ESTER COPOLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2008-10-15 — — EP claimed
WO-2008051241-A2 SHAPE MEMORY CYANATE ESTER COPOLYMERS CORNERSTONE RESEARCH GROUP, INC. (US) 2008-05-02 — — WO claimed
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