SCHEMBL9744731

SCHEMBL9744731

CCCCCCCCCOc1cnc(-c2ccc(C(=O)Cl)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 4/20 0.56
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
HSD17B10 Q99714 1/20 0.55
TP53 P04637 1/20 0.52
TSHR P16473 1/20 0.52
PLA2G4B P0C869 5/20 0.51
KDM4E B2RXH2 2/20 0.51
MAPT P10636 1/20 0.49
ALDH1A1 P00352 1/20 0.48
PTPN11 Q06124 1/20 0.47
PLA2G4A P47712 1/20 0.47
PLA2G2A P14555 1/20 0.46
NFKB1 P19838 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45

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
SCHEMBL9746155 1.00 RARB (0.56) RARBNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9745033 1.00 RARB (0.56) RARBNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9745265 1.00 RARB (0.56) RARBNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9745673 1.00 RARB (0.56) RARBNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9329245 0.89 NPC1 (0.62) RARBNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9513363 0.89 NPC1 (0.62) RARBNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL9733624 0.87 RARB (0.74) RARBNPC1RAB9ASMN1; SMN2TP53
SCHEMBL7863588 0.87 GAA (0.59) RARBNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL7863577 0.87 GAA (0.59) RARBNPC1RAB9ASMN1; SMN2HSD17B10
SCHEMBL8532765 0.87 RARB (0.74) RARBNPC1RAB9ASMN1; SMN2TP53

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-5110496-A LIQUID CRYSTAL COMPOUND SHOWA SHELL SEKIYU KABUSHIKI KAISHA (JP) 1992-05-05 US disclosed
EP-0445037-A2 Liquid crystal compound Showa Shell Sekiyu Kabushiki Kaisha (JP) 1991-09-04 EP disclosed