SCHEMBL6582495

SCHEMBL6582495

C=C(C)CSc1ccc(C(C)(C)C)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.61
SMN1; SMN2 Q16637 3/20 0.56
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
LMNA P02545 1/20 0.40
TYR P14679 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
TSHR P16473 2/20 0.37
EPHX2 P34913 2/20 0.36
NR1H4 Q96RI1 2/20 0.36
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 2/20 0.35

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
SCHEMBL31757028 0.81 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL11070440 0.78 RAB9A (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL5279108 0.77 ALDH1A1 (0.71) ALDH1A1SMN1; SMN2EPHX2NR1H4GAA
SCHEMBL3887827 0.76 MAPK1 (0.41) ALDH1A1SMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL4444863 0.75 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL1930612 0.75 FFAR1 (0.56) ALDH1A1SMN1; SMN2NPC1TSHRHPGD
SCHEMBL10599472 0.74 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL12402141 0.74 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
Hydrochloric Acid SCHEMBL11850589 0.74 ALDH1A1 (0.67) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1
SCHEMBL13008693 0.73 ALDH1A1 (0.65) ALDH1A1SMN1; SMN2NPC1RAB9AL3MBTL1

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-0879231-B1 DIHYDROBENZOFURAN AND RELATED COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2004-09-22 EP disclosed
EP-0891346-B1 DIHYDROBENZOFURAN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS UNIV VANDERBILT (US) 2004-05-12 EP disclosed