SCHEMBL8375635

SCHEMBL8375635

CC(NC(=O)c1ccsc1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.55
HPGD P15428 1/20 0.51
CA2 P00918 3/20 0.50
CA1 P00915 3/20 0.50
LCK P06239 1/20 0.50
FYN P06241 1/20 0.50
DAO P14920 1/20 0.50
MME P08473 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
KCNK3 O14649 1/20 0.45
KCNK9 Q9NPC2 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
KDM4C Q9H3R0 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
SLC6A9 P48067 1/20 0.41
SLC6A5 Q9Y345 1/20 0.41
HDAC4 P56524 1/20 0.41

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
SCHEMBL8150133 0.84 HDAC1 (0.60) HDAC1HPGDCA2CA1LCK
SCHEMBL7983464 0.83 HDAC1 (0.51) HDAC1HPGDCA2CA1LCK
SCHEMBL13753456 0.81 HDAC1 (0.56) HDAC1HPGDCA2CA1LCK
SCHEMBL11103438 0.79 CA2 (0.71) CA2CA1NPC1RAB9AKDM4C
SCHEMBL11103451 0.79 CA2 (0.71) CA2CA1NPC1RAB9AKDM4C
SCHEMBL13754513 0.78 HDAC1 (0.53) HDAC1HPGDCA2CA1LCK
SCHEMBL2796740 0.76 CA1 (0.62) HDAC1HPGDCA2CA1RAB9A
SCHEMBL698879 0.76 CA1 (0.62) HDAC1HPGDCA2CA1RAB9A
SCHEMBL698880 0.76 CA1 (0.62) HDAC1HPGDCA2CA1RAB9A
SCHEMBL15047908 0.76 HDAC1 (0.50) HDAC1HPGDCA2CA1LCK

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-0511003-B1 Superactive GRF analogs LILLY CO ELI (US) 1999-03-24 EP disclosed
EP-0511003-A1 Superactive GRF analogs ELI LILLY AND COMPANY (US) 1992-10-28 EP disclosed