SCHEMBL17244346

SCHEMBL17244346

CC(C)N(c1ccsc1C(=O)O)C(=O)[C@H]1CC[C@H](C)CC1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.35
NR1I2 O75469 2/20 0.33
CYP2E1 P05181 1/20 0.33
AXL P30530 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
RAB9A P51151 2/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
GFER P55789 1/20 0.31
NPC1 O15118 1/20 0.31
GPR35 Q9HC97 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
HTT P42858 1/20 0.31
USP30 Q70CQ3 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
SCHEMBL2431710 0.86 ALDH1A1 (0.44) L3MBTL1NPSR1ALDH1A1MEN1KMT2A
SCHEMBL2431713 0.86 ALDH1A1 (0.44) L3MBTL1NPSR1ALDH1A1MEN1KMT2A
SCHEMBL5446807 0.81 ABCC1 (0.34) LMNANPSR1ALDH1A1MEN1KMT2A
SCHEMBL5446806 0.81 ABCC1 (0.34) LMNANPSR1ALDH1A1MEN1KMT2A
SCHEMBL6103454 0.79 ALDH1A1 (0.33) L3MBTL1ALDH1A1MEN1KMT2ARAB9A
SCHEMBL4346529 0.79 HTT (0.39) LMNANR1I2CYP2E1AXLALDH1A1
SCHEMBL12949686 0.79 NR1I2 (0.39) LMNANR1I2CYP2E1AXLL3MBTL1
SCHEMBL4346533 0.79 HTT (0.39) LMNANR1I2CYP2E1AXLALDH1A1
SCHEMBL4152499 0.79 NR1I2 (0.38) NR1I2CYP2E1
SCHEMBL4152502 0.79 NR1I2 (0.38) NR1I2CYP2E1

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
EP-2507249-B1 INHIBITORS OF FLAVIVIRIDAE VIRUSES GILEAD SCIENCES INC (US) 2015-11-11 EP disclosed