SCHEMBL8553053

SCHEMBL8553053

CCCCC(=O)Oc1c(C)cc(-c2nnn(C)n2)cc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPSR1 Q6W5P4 2/20 0.35
FAAH O00519 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
MAPT P10636 2/20 0.34
TRPV1 Q8NER1 1/20 0.34
TP53 P04637 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
LDHA P00338 1/20 0.34
LDHB P07195 1/20 0.34
AKR1B1 P15121 1/20 0.34
MAPK1 P28482 1/20 0.34
KIFC1 Q9BW19 1/20 0.34
ALDH1A1 P00352 2/20 0.33

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
SCHEMBL9091116 0.80 TSHR (0.43) TSHRHPGDHSD17B10L3MBTL1MAPT
SCHEMBL8551826 0.77 FFAR4 (0.44) TSHRMEN1KMT2ATP53MAPK1
SCHEMBL8553780 0.73 NPC1 (0.36) TSHRMEN1KMT2ANPC1LMNA
SCHEMBL8553886 0.72 PPARG (0.35) TSHRHPGDHSD17B10NPSR1MEN1
SCHEMBL9089935 0.70 HDAC6 (0.39) HPGDTP53KIFC1
SCHEMBL8866848 0.70 ALOX15 (0.46) HPGDMEN1KMT2ANPC1LMNA
SCHEMBL8603712 0.69 NR1I2 (0.37) TSHRMEN1KMT2AL3MBTL1MAPT
SCHEMBL8553777 0.69 SMN1; SMN2 (0.33) HPGDHSD17B10NPC1RAB9AMAPK1
SCHEMBL8661861 0.69 SMN1; SMN2 (0.32) HPGDHSD17B10NPC1RAB9AMAPK1
SCHEMBL16837506 0.68 DGKA (0.46) TSHRKMT2AMAPTNPC1LMNA

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