SCHEMBL25873134

SCHEMBL25873134

C/C=C/c1cc(C(C)(C)c2ccc(OC#N)c(/C=C/C)c2)ccc1N=C=O

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL22966373 0.86 CYP3A4 (0.35) ALDH1A1CYP3A4HPGDTDP1
SCHEMBL22966374 0.86 HMGCR (0.36) CYP3A4
SCHEMBL29660106 0.86 HMGCR (0.36) CYP3A4
SCHEMBL31233935 0.80 ESR1 (0.36) ALDH1A1CYP3A4
SCHEMBL25873132 0.73 ELANE (0.32) ALDH1A1CYP3A4HPGDTDP1
SCHEMBL12905335 0.68 CYP3A4 (0.36) CYP3A4
SCHEMBL31344479 0.68 AR (0.38) ALDH1A1CYP3A4HPGDTDP1
SCHEMBL10589697 0.67 CYP3A4 (0.65) ALDH1A1CYP3A4HPGDTDP1
SCHEMBL3838169 0.66 CA1 (0.40) ALDH1A1CYP3A4
SCHEMBL3838171 0.66 CA1 (0.40) ALDH1A1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240016699-A1 PHARMACEUTICAL PACKAGES WITH COATINGS COMPRISING POLYCYANURATES CORNING INC (US) 2024-01-18 US disclosed
US-11707411-B2 Pharmaceutical packages with coatings comprising polycyanurates CORNING INCORPORATED (US) 2023-07-25 US disclosed