SCHEMBL13625206

SCHEMBL13625206

O=C(NCC1CC2CC(CNC(=O)OCCCC3CCCCC3)C1C2)OCCCC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPHX1 P07099 1/20 0.50
▸ NAAA Q02083 12/20 0.46
▸ ASAH1 Q13510 1/20 0.43
▸ HRH4 Q9H3N8 3/20 0.42
▸ HRH3 Q9Y5N1 3/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL13625207 0.92 EPHX1 (0.43) EPHX1NAAAASAH1HRH4HRH3
SCHEMBL7897305 0.79 ACHE (0.46) EPHX1
SCHEMBL17342594 0.73 EPHX1 (0.48) EPHX1NAAAASAH1HRH4HRH3
SCHEMBL13625210 0.72 SMN1; SMN2 (0.52) NAAASMN1; SMN2
SCHEMBL13625208 0.71 ACHE (0.39) —
SCHEMBL13625186 0.71 EPHX1 (0.91) EPHX1NAAAASAH1
SCHEMBL7897322 0.70 CYP2C9 (0.39) EPHX1SMN1; SMN2
SCHEMBL13387497 0.70 ACHE (0.49) EPHX1
SCHEMBL4463802 0.69 EPHX1 (0.57) EPHX1NAAAASAH1SMN1; SMN2
SCHEMBL13625209 0.69 MEN1 (0.38) —

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
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