SCHEMBL8077960

SCHEMBL8077960

CCCCCCCCCCc1cnc(-c2ccc(OCC(O[C@H]3CCCCO3)[C@@H](C)CC)cc2)nc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.40
RAB9A P51151 6/20 0.38
MAPT P10636 4/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 2/20 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
L3MBTL1 Q9Y468 1/20 0.36
PLA2G2A P14555 6/20 0.34
PLA2G10 O15496 2/20 0.34
PLA2G1B P04054 2/20 0.34
PLA2G5 P39877 2/20 0.34
NPC1 O15118 4/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 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
SCHEMBL8072731 0.85 RARB (0.38) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL8073111 0.84 RARB (0.38) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9345719 0.81 RARB (0.41) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL9345707 0.81 RARB (0.41) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL6968071 0.75 RARB (0.49) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL8080399 0.75 RARB (0.51) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL8074909 0.75 RARB (0.51) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL8079648 0.75 RARB (0.51) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL8064916 0.75 RARB (0.51) RARBRAB9AMAPTSMN1; SMN2MEN1
SCHEMBL8073331 0.75 RARB (0.51) RARBRAB9AMAPTSMN1; SMN2MEN1

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-6093345-A PYRIMIDINE COMPOUNDS, ELECTROOPTICS TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-07-25 US disclosed