SCHEMBL13625190

SCHEMBL13625190

O=C(NC1CCCCC1)OCCCc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 7/20 0.65
EPHX2 P34913 3/20 0.64
RAB9A P51151 4/20 0.57
NPC1 O15118 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
RECQL P46063 1/20 0.57
TP53 P04637 1/20 0.57
TSHR P16473 1/20 0.57
NAAA Q02083 2/20 0.55
ALDH1A1 P00352 2/20 0.55
KMT2A Q03164 1/20 0.54

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
SCHEMBL1690703 0.95 EPHX1 (0.69) EPHX1EPHX2NAAA
SCHEMBL7181896 0.90 EPHX1 (0.60) EPHX1EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL22289771 0.84 NAAA (0.59) EPHX1RAB9ANPC1SMN1; SMN2RECQL
SCHEMBL1171950 0.84 EPHX1 (0.72) EPHX1EPHX2RAB9ANPC1NAAA
SCHEMBL15975484 0.83 EPHX1 (0.71) EPHX1EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL8393719 0.82 EPHX1 (0.84) EPHX1EPHX2RAB9ATSHRALDH1A1
SCHEMBL1424064 0.82 EPHX1 (0.84) EPHX1EPHX2RAB9ATSHRALDH1A1
Bicarbonate SCHEMBL6203780 0.81 EPHX1 (0.82) EPHX1EPHX2RAB9ATSHRALDH1A1
SCHEMBL8392063 0.81 NPC1 (0.55) EPHX1EPHX2RAB9ANPC1SMN1; SMN2
SCHEMBL8395708 0.81 NPC1 (0.55) EPHX1EPHX2RAB9ANPC1SMN1; SMN2

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 3 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
EP-1670852-B1 THERMOSETTING MATERIAL BASED ON ANTIPLASTICIZED POLYTHIOURETHANE, AND OPHTHALMIC LENS COMPRISING AN ANTIPLASTICIZED THERMOSETTING MATERIAL ESSILOR INT (FR) 2008-12-10 EP disclosed