SCHEMBL13625210

SCHEMBL13625210

O=C(NCC1CC2CC(CNC(=O)OCCCc3ccccc3)C1C2)OCCCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ RECQL P46063 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ LMNA P02545 1/20 0.47
▸ NAAA Q02083 3/20 0.46
▸ EPHX2 P34913 1/20 0.45
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNB4 P30926 1/20 0.43
▸ CHRNA3 P32297 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ CTSK P43235 1/20 0.42
▸ CHRNA7 P36544 1/20 0.42

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
SCHEMBL8944652 0.80 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL8394496 0.78 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL8396686 0.78 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL7905615 0.77 ALDH1A1 (0.52) NPC1RAB9AALDH1A1
SCHEMBL8392063 0.77 NPC1 (0.55) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL8395708 0.77 NPC1 (0.55) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL4920810 0.77 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL27493272 0.76 NAAA (0.55) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL28866304 0.74 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RECQLRAB9ALMNA
SCHEMBL28255730 0.74 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RECQLRAB9ALMNA

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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