SCHEMBL7288669

SCHEMBL7288669

O=C(O)CC1CCSc2sccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 4/20 0.41
ALDH1A1 P00352 3/20 0.41
NPC1 O15118 2/20 0.41
PPARG P37231 1/20 0.41
RAB9A P51151 1/20 0.41
NCOA2 Q15596 1/20 0.41
NCOA1 Q15788 1/20 0.41
MAPK1 P28482 1/20 0.39
DGAT1 O75907 1/20 0.36
ITGB3 P05106 5/20 0.35
ITGA2B P08514 5/20 0.35
TP53 P04637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
HPGD P15428 2/20 0.33
POLB P06746 1/20 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
SCHEMBL7296956 0.85 HTT (0.37) HTTALDH1A1NPC1PPARGRAB9A
SCHEMBL9385024 0.78 HTR2C (0.47) DGAT1ITGB3ITGA2B
SCHEMBL7373118 0.77 MAPK1 (0.39) HTTALDH1A1NPC1PPARGRAB9A
Iodide SCHEMBL7288456 0.76 HTT (0.37) HTTALDH1A1NPC1PPARGRAB9A
SCHEMBL7288534 0.75 TP53 (0.41) ALDH1A1NPC1DGAT1ITGB3ITGA2B
SCHEMBL9737731 0.75 TP53 (0.41) DGAT1ITGB3ITGA2BTP53L3MBTL1
SCHEMBL7289455 0.75 ITGB3 (0.36) DGAT1ITGB3ITGA2BTP53L3MBTL1
SCHEMBL7293806 0.75 ITGB3 (0.36) DGAT1ITGB3ITGA2BTP53L3MBTL1
SCHEMBL28808246 0.74 ALDH1A1 (0.36) HTTALDH1A1NPC1PPARGRAB9A
SCHEMBL7289143 0.73 ITGB3 (0.35) DGAT1ITGB3ITGA2BPOLB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0729960-A1 Thiophene compounds and their use as intermediates in the preparation of antianxiety drugs, hypnotics, antiepileptic drugs and nuotropics YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-09-04 EP claimed
US-5329016-A Antianxiety, hypnotic agents, antiepileptic agents or nootropics YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-07-12 US claimed
EP-0426018-A2 Thiophene compounds and their pharmaceutical uses YOSHITIOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-05-08 EP claimed
EP-0426018-B1 Thiophene compounds and their pharmaceutical uses YOSHITIOMI PHARMACEUTICAL IND (JP) 1997-08-27 EP disclosed
EP-0729960-A1 Thiophene compounds and their use as intermediates in the preparation of antianxiety drugs, hypnotics, antiepileptic drugs and nuotropics YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-09-04 EP disclosed
US-5329016-A Antianxiety, hypnotic agents, antiepileptic agents or nootropics YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-07-12 US disclosed
US-5175162-A Anxiolytic, antiepilepic agents YOSHITIOMI PHARMACEUTICAL INDUSTRIES LTD. (JP) 1992-12-29 US disclosed
EP-0426018-A2 Thiophene compounds and their pharmaceutical uses YOSHITIOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-05-08 EP disclosed