SCHEMBL7447018

SCHEMBL7447018

CCOc1sc(C(=O)N2CCCC2)c2c1C(=O)/C(=C/O)C(C)(C)C2

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 9/20 0.38
ALDH1A1 P00352 10/20 0.37
TSHR P16473 3/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.34
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 1/20 0.30
PKM P14618 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
SCHEMBL7433481 1.00 HPGD (0.38) HPGDALDH1A1TSHRLMNAL3MBTL1
SCHEMBL7440274 0.81 HPGD (0.33) HPGDALDH1A1TSHRLMNA
SCHEMBL7440268 0.81 HPGD (0.33) HPGDALDH1A1TSHRLMNA
SCHEMBL7442942 0.80 NPSR1 (0.39) HPGDALDH1A1TSHRLMNAKDM4E
SCHEMBL7442946 0.80 NPSR1 (0.39) HPGDALDH1A1TSHRLMNAKDM4E
SCHEMBL7429720 0.80 HPGD (0.32) HPGDALDH1A1TSHRLMNANPSR1
SCHEMBL7429710 0.80 HPGD (0.32) HPGDALDH1A1TSHRLMNANPSR1
SCHEMBL7437499 0.79 HPGD (0.41) HPGDALDH1A1TSHRLMNAL3MBTL1
SCHEMBL7441294 0.79 NPSR1 (0.39) HPGDALDH1A1TSHRLMNAKDM4E
SCHEMBL7437284 0.77 LMNA (0.33) LMNANPSR1

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
US-6143773-A Substituted thienobenzisoxazole derivatives for enhancing cognition MERCK SHARP & DOHME LIMITED (GB) 2000-11-07 US disclosed