SCHEMBL8093194

SCHEMBL8093194

O=c1cc(-c2ccccc2F)oc2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 1.00
HPGD P15428 5/20 1.00
RAB9A P51151 4/20 1.00
SMN1; SMN2 Q16637 3/20 1.00
GABRP O00591 6/20 0.71
GABRD O14764 6/20 0.71
GABRA1 P14867 6/20 0.71
GABRB1 P18505 6/20 0.71
GABRG2 P18507 6/20 0.71
GABRB3 P28472 6/20 0.71
GABRA5 P31644 6/20 0.71
GABRA3 P34903 6/20 0.71
GABRA2 P47869 6/20 0.71
GABRB2 P47870 6/20 0.71
GABRA4 P48169 6/20 0.71
GABRE P78334 6/20 0.71
GABRA6 Q16445 6/20 0.71
GABRG1 Q8N1C3 6/20 0.71
GABRG3 Q99928 6/20 0.71
GABRQ Q9UN88 6/20 0.71

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
SCHEMBL4634256 0.85 HPGD (0.73) NPC1HPGDRAB9ASMN1; SMN2GABRP
SCHEMBL17786454 0.83 NPC1 (0.71) NPC1HPGDRAB9ASMN1; SMN2GABRP
SCHEMBL311588 0.83 HPGD (0.76) NPC1HPGDRAB9ASMN1; SMN2GABRP
SCHEMBL8025501 0.80 HPGD (0.67) NPC1HPGDRAB9ASMN1; SMN2GABRP
SCHEMBL2436664 0.80 HPGD (0.67) NPC1HPGDRAB9ASMN1; SMN2GABRP
SCHEMBL25186939 0.80 HPGD (0.67) NPC1HPGDRAB9ASMN1; SMN2GABRP
SCHEMBL87773 0.80 HPGD (0.67) NPC1HPGDRAB9ASMN1; SMN2GABRP
SCHEMBL530293 0.80 HPGD (0.67) NPC1HPGDRAB9ASMN1; SMN2GABRP
SCHEMBL312255 0.80 AKR1C3 (1.00) NPC1HPGDRAB9ASMN1; SMN2GABRP
SCHEMBL3205778 0.80 HPGD (0.67) NPC1HPGDRAB9ASMN1; SMN2GABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399584-A Preventing gastrointestinal damage caused by nonsteroidal antiinflammatory drugs THE PROCTER & GAMBLE COMPANY (US) 1995-03-21 US claimed
US-6046231-A ADMINISTERING A SUFFICIENT AMOUNT OF A CANCER CHEMOPREVENTATIVE COMPOSITION COMPRISING 4'-BROMOFLAVONE TO A MAMMAL IN NEED TO PREVENT, DELAY OR REVERSE A CANCER SENSITIVE TO 4'-BROMOFLAVONE THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2000-04-04 US disclosed
US-5399584-A Preventing gastrointestinal damage caused by nonsteroidal antiinflammatory drugs THE PROCTER & GAMBLE COMPANY (US) 1995-03-21 US disclosed