SCHEMBL8876063

SCHEMBL8876063

CCCCCCc1ccc(-c2cnc(-c3ccc(OC(=O)C4COC(C)(C)O4)cc3)nc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RARB P10826 6/20 0.43
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
THRB P10828 3/20 0.42
THRA P10827 2/20 0.42
RARA P10276 1/20 0.40
MTOR P42345 1/20 0.40
PLA2G4A P47712 1/20 0.38

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
SCHEMBL8874657 1.00 RARB (0.43) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8876070 1.00 RARB (0.43) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8874662 1.00 RARB (0.43) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8874586 0.94 RARB (0.51) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8875835 0.94 RARB (0.51) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8873928 0.94 RARB (0.51) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8873613 0.94 RARB (0.51) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8873917 0.94 RARB (0.51) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8873620 0.94 RARB (0.51) RARBMAPTSMN1; SMN2MEN1ALDH1A1
SCHEMBL8874580 0.94 RARB (0.51) RARBMAPTSMN1; SMN2MEN1ALDH1A1

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