SCHEMBL9379698

SCHEMBL9379698

C=CCc1cc(N2C(=O)CCC23CCC(=O)N3c2ccc(OC#N)c(CC=C)c2)ccc1OC#N

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ PTGDR Q13258 1/20 0.30
▸ PTGDR2 Q9Y5Y4 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
SCHEMBL10460203 0.84 MAPT (0.42) MAPTALDH1A1POLBPTGDRPTGDR2
SCHEMBL9379078 0.78 GABRA1 (0.45) MAPTALDH1A1POLB
SCHEMBL10458196 0.74 KDM4E (0.33) MAPTALDH1A1POLB
SCHEMBL9734487 0.72 ALDH1A1 (0.50) ALDH1A1POLB
SCHEMBL30417022 0.69 MAPT (0.38) MAPTALDH1A1POLBPTGDRPTGDR2
SCHEMBL9419416 0.68 KMT2A (0.40) MAPTALDH1A1PTGDRPTGDR2
SCHEMBL8993094 0.68 GABRA1 (0.41) ALDH1A1PTGDRPTGDR2
SCHEMBL21192542 0.68 MAPT (0.37) MAPTALDH1A1POLBPTGDRPTGDR2
SCHEMBL21177757 0.67 POLB (0.55) MAPTALDH1A1POLBPTGDRPTGDR2
SCHEMBL21177929 0.67 GABRA1 (0.35) MAPTALDH1A1PTGDRPTGDR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0384518-B1 Alkenylphenol derivatives SHELL INT RESEARCH (NL) 1994-08-24 — — EP claimed
EP-0384518-A1 Alkenylphenol derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-08-29 — — EP claimed
EP-0384518-B1 Alkenylphenol derivatives SHELL INT RESEARCH (NL) 1994-08-24 — — EP disclosed
US-5082923-A High glass transition temperature SHELL OIL COMPANY (US) 1992-01-21 — — US disclosed
US-4981976-A Polycyanato resins SHELL OIL COMPANY (US) 1991-01-01 — — US disclosed
EP-0384518-A1 Alkenylphenol derivatives SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1990-08-29 — — EP disclosed
US-4927908-A Curable resin composition comprising cyanato aryl spirodilactam SHELL OIL COMPANY (US) 1990-05-22 — — US disclosed
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