SCHEMBL8175083

SCHEMBL8175083

CC[C@H](F)CCCCCc1cnc(-c2ccc(OCC(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)nc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RARB P10826 1/20 0.35
RAB9A P51151 4/20 0.33
MAPT P10636 3/20 0.33
KDM4E B2RXH2 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HSD17B10 Q99714 2/20 0.33
USP2 O75604 2/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.31
TSHR P16473 1/20 0.30

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
SCHEMBL8181723 0.92 RARB (0.35) RARBRAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL8181726 0.92 RARB (0.35) RARBRAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL8167129 0.91 RARB (0.32) RARBRAB9AKDM4ESMN1; SMN2HSD17B10
SCHEMBL8168553 0.90 NPC1 (0.37) RARBRAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL7565302 0.88 RARB (0.46) RARBRAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL7560051 0.88 RARB (0.46) RARBRAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL7560836 0.88 RARB (0.46) RARBRAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL7561626 0.88 RARB (0.46) RARBRAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL7755270 0.88 RARB (0.46) RARBRAB9AMAPTKDM4ESMN1; SMN2
SCHEMBL7756078 0.88 RARB (0.46) RARBRAB9AMAPTKDM4ESMN1; SMN2

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-6139924-A CONTAINING A PYRIMIDINE RING 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-10-31 US disclosed