SCHEMBL13625200

SCHEMBL13625200

O=C(NCc1cccc(CNC(=O)OCCCc2ccccc2)c1)OCCCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.61
RECQL P46063 1/20 0.61
RAB9A P51151 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
LMNA P02545 1/20 0.55
PADI3 Q9ULW8 1/20 0.51
PADI4 Q9UM07 1/20 0.51
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
EPHX2 P34913 1/20 0.49
CTSK P43235 1/20 0.48
AKR1B10 O60218 1/20 0.48
AKR1B1 P15121 1/20 0.48
CHRNA7 P36544 1/20 0.48
MGLL Q99685 1/20 0.48
TRPV1 Q8NER1 1/20 0.47
MMP1 P03956 1/20 0.47
MMP2 P08253 1/20 0.47

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
SCHEMBL17864889 0.91 MGLL (0.57) NPC1RECQLRAB9ASMN1; SMN2LMNA
SCHEMBL17342588 0.91 PADI3 (0.53) NPC1RECQLRAB9ASMN1; SMN2LMNA
SCHEMBL17346754 0.91 LMNA (0.56) SMN1; SMN2LMNAPADI3PADI4MGLL
SCHEMBL17342584 0.90 HDAC3 (0.52) NPC1RECQLRAB9ASMN1; SMN2LMNA
SCHEMBL17342589 0.85 ALDH1A1 (0.50) SMN1; SMN2LMNAPADI3PADI4
SCHEMBL17346792 0.85 TSHR (0.53) SMN1; SMN2LMNAPADI3PADI4
SCHEMBL18124425 0.84 HDAC1 (0.53) NPC1RECQLRAB9ASMN1; SMN2PADI3
SCHEMBL17342601 0.84 TSHR (0.55) SMN1; SMN2LMNAPADI3PADI4
SCHEMBL17342586 0.84 RAB9A (0.65) NPC1RECQLRAB9ASMN1; SMN2LMNA
SCHEMBL18124427 0.84 HDAC1 (0.51) NPC1RAB9ASMN1; SMN2LMNAPADI3

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