SCHEMBL22192243

SCHEMBL22192243

O=C(Nc1ccc(OCCCc2ccccc2)cc1)c1ccc(OCCCc2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.71
NPC1 O15118 5/20 0.68
RAB9A P51151 4/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
HDAC1 Q13547 1/20 0.62
KMT2A Q03164 7/20 0.60
MEN1 O00255 6/20 0.60
RXFP1 Q9HBX9 2/20 0.59
TRPV1 Q8NER1 1/20 0.59
LTA4H P09960 1/20 0.59
PPARA Q07869 3/20 0.59
FFAR1 O14842 1/20 0.58
CHRNB2 P17787 2/20 0.57
CHRNB4 P30926 2/20 0.57
CHRNA3 P32297 2/20 0.57
CHRNA7 P36544 2/20 0.57
CHRNA4 P43681 2/20 0.57
CHRNA10 Q9GZZ6 1/20 0.57
CHRNA9 Q9UGM1 1/20 0.57
MAPT P10636 1/20 0.56

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
SCHEMBL22192242 0.93 NPC1 (0.69) NR1H4NPC1RAB9ASMN1; SMN2HDAC1
SCHEMBL20258214 0.84 ALDH1A1 (0.61) NPC1RAB9ASMN1; SMN2KMT2AMEN1
SCHEMBL22192264 0.84 RAB9A (0.94) NR1H4NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8108301 0.83 NR1H4 (0.78) NR1H4NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4257510 0.82 NR1H4 (0.76) NR1H4NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL835138 0.82 MEN1 (0.67) NR1H4NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL4361279 0.82 PLA2G4B (0.76) NR1H4NPC1RAB9AKMT2AMEN1
SCHEMBL27613074 0.82 FFAR1 (0.69) NR1H4NPC1RAB9AKMT2AMEN1
SCHEMBL6581838 0.81 NR1H4 (0.68) NR1H4NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL5936643 0.81 SMN1; SMN2 (0.61) NR1H4NPC1RAB9ASMN1; SMN2HDAC1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10703911-B2 Organic colorant, coloring composition, and inkjet ink RICOH COMPANY, LTD. (JP) 2020-07-07 US disclosed