SCHEMBL13625208

SCHEMBL13625208

CCCOCCOC(=O)NCC1CC2CC(CNC(=O)OCCOCCC)C1C2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 8/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ EPHX2 P34913 5/20 0.38
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34

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
SCHEMBL7897305 0.85 ACHE (0.46) ACHEMEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL7897322 0.76 CYP2C9 (0.39) ALDH1A1CYP2C9CYP2C19
SCHEMBL16298775 0.72 ACHE (0.53) ACHEMEN1KMT2AALDH1A1
SCHEMBL16298774 0.72 ACHE (0.53) ACHEMEN1KMT2AALDH1A1
SCHEMBL20089025 0.71 ALDH1A1 (0.36) MEN1KMT2AALDH1A1EPHX2
SCHEMBL13625206 0.71 EPHX1 (0.50) —
SCHEMBL10106984 0.69 CYP2C9 (0.49) ALDH1A1CYP2C9CYP2C19
SCHEMBL13625209 0.69 MEN1 (0.38) MEN1KMT2AL3MBTL1ALDH1A1MAPT
SCHEMBL2819850 0.69 ACHE (0.47) ACHEALDH1A1
SCHEMBL17208303 0.68 ACHE (0.48) ACHEEPHX2

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-7622526-B2 Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material ESSILOR INTERNATIONAL (FR) 2009-11-24 — — US disclosed
US-7622526-B2 Thermoset material based on antiplasticizing polythiourethane and ophthalmic lens comprising an antiplasticized thermoset material ESSILOR INTERNATIONAL (FR) 2009-11-24 — — US disclosed
Send feedback