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SCHEMBL25873132

SCHEMBL25873132

C=CCc1cc(C(C)(C)c2ccc(OC#N)c(CC=C)c2)ccc1N=C=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ ALOX5 P09917 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
SCHEMBL3420813 0.87 ELANE (0.36) ELANEALDH1A1ALOX5
SCHEMBL19806878 0.87 KLF10 (0.35) ALDH1A1CYP3A4HPGDTDP1
SCHEMBL29664254 0.87 ELANE (0.36) ELANEALDH1A1ALOX5
SCHEMBL12905335 0.75 CYP3A4 (0.36) CYP3A4
SCHEMBL21533300 0.75 POLB (0.36) ELANEALDH1A1TDP1
SCHEMBL30002382 0.75 POLB (0.36) ELANEALDH1A1TDP1
SCHEMBL21533302 0.75 POLB (0.36) ALDH1A1TDP1
SCHEMBL25873134 0.73 ALDH1A1 (0.33) ALDH1A1CYP3A4HPGDTDP1
SCHEMBL21192545 0.72 ALOX5 (0.32) ELANEALOX5
SCHEMBL238989 0.71 GABRA1 (0.52) ALDH1A1CYP3A4ALOX5

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