SCHEMBL8875592

SCHEMBL8875592

CCCCCCCCc1cnc(-c2ccc(OC(=O)C3COC4(CCCCC4)O3)cc2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.40
MAPT P10636 3/20 0.40
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
THRB P10828 3/20 0.37
THRA P10827 2/20 0.37
NPC1 O15118 1/20 0.35
NFKB1 P19838 1/20 0.35
NFKB2 Q00653 1/20 0.35
RELA Q04206 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CASP3 P42574 1/20 0.34

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
SCHEMBL8875598 1.00 RARB (0.47) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL8873490 0.90 RARB (0.39) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL8873483 0.90 RARB (0.39) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL8875835 0.89 RARB (0.51) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL8873620 0.89 RARB (0.51) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL8873928 0.89 RARB (0.51) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL8873613 0.89 RARB (0.51) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL8873917 0.89 RARB (0.51) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL8874586 0.89 RARB (0.51) RARBSMN1; SMN2MAPTRAB9AKDM4E
SCHEMBL8874580 0.89 RARB (0.51) RARBSMN1; SMN2MAPTRAB9AKDM4E

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-5641428-A SHORT SWITCHING TIMES HOECHST AKTIENGESELLSCHAFT (DE) 1997-06-24 US disclosed