SCHEMBL5500333

SCHEMBL5500333

Cc1ccc(CC(C)(C)NC(F)CC(F)S(=O)O)cc1

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ANPEP P15144 1/20 0.30
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
KMT2A Q03164 1/20 0.30
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
GHSR Q92847 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
SCHEMBL5504082 0.70 CASR (0.39) HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL9913300 0.69 HPGD (0.40) HPGDNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL5503937 0.66 HPGD (0.36) HPGDNPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL6009956 0.66 HPGD (0.36) HPGDNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3640956 0.63 ACACB (0.54) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5503668 0.62 CASR (0.39) HPGDNPC1RAB9ASMN1; SMN2GHSR
SCHEMBL15261415 0.60 HPGD (0.57) HPGDNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL14047948 0.59 ESR1 (0.44) HPGDNPC1RAB9ASMN1; SMN2TSHR
SCHEMBL19669538 0.59 IDO1 (0.44) HPGDTSHRKMT2ATDP1
SCHEMBL295944 0.59 ESR1 (0.44) HPGDNPC1RAB9ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828111-A2 METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES Neurochem (International) Limited (CH) 2007-09-05 EP disclosed
WO-2006059252-A2 METHODS AND FLUORINATED COMPOSITIONS FOR TREATING AMYLOID-RELATED DISEASES NEUROCHEM (INTERNATIONAL) LIMITED (CH) 2006-06-08 WO disclosed