SCHEMBL8553886

SCHEMBL8553886

CCC(Oc1c(C)cc(-c2nnn(C)n2)cc1C)C(=O)Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 2/20 0.35
HSD17B10 Q99714 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
FFAR1 O14842 1/20 0.33
KIFC1 Q9BW19 1/20 0.33
XPO1 O14980 1/20 0.32
TSHR P16473 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
TP53 P04637 2/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
WNT1 P04628 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31

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
SCHEMBL8604571 0.88 PPARG (0.35) PPARGPPARASMN1; SMN2ALDH1A1HPGD
SCHEMBL8553777 0.79 SMN1; SMN2 (0.33) SMN1; SMN2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL8661861 0.78 SMN1; SMN2 (0.32) SMN1; SMN2ALDH1A1HPGDHSD17B10KDM4E
SCHEMBL8553053 0.72 TSHR (0.36) ALDH1A1HPGDHSD17B10KDM4EMAPK1
SCHEMBL8551826 0.71 FFAR4 (0.44) ALDH1A1KDM4EMAPK1FFAR1TSHR
SCHEMBL8553807 0.70 CTSA (0.35) SMN1; SMN2NPC1RAB9A
SCHEMBL8551725 0.70
SCHEMBL9091116 0.69 TSHR (0.43) HPGDHSD17B10MAPK1TSHRTP53
SCHEMBL8556589 0.68 RAB9A (0.35) PPARASMN1; SMN2FFAR1NPC1RAB9A
SCHEMBL8824429 0.68 THRA (0.39) ALDH1A1MAPK1KIFC1TSHRNPC1

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
US-5846986-A Therapeutic phenoxyalkylazoles and phenoxyalkylazines SANOFI (FR) 1998-12-08 US disclosed
US-5721261-A TREATING PICORNAVIRUS INFECTIONS SANOFI PHARMACEUTICALS, INC. (US) 1998-02-24 US disclosed