SCHEMBL7793829

SCHEMBL7793829

O=C(C=Cc1ccccc1)c1ccc(S(=O)(=O)O)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1B1 Q16678 11/20 0.68
MAOB P27338 8/20 0.68
MAPT P10636 5/20 0.68
TNFRSF1A P19438 2/20 0.68
PLIN1 O60240 1/20 0.68
LMNA P02545 1/20 0.68
BCHE P06276 1/20 0.68
ACHE P22303 1/20 0.68
RECQL P46063 1/20 0.68
PLIN5 Q00G26 1/20 0.68
ABHD5 Q8WTS1 1/20 0.68
KMT2A Q03164 4/20 0.65
HSPD1 P10809 3/20 0.65
HSPE1 P61604 3/20 0.65
CYP3A4 P08684 3/20 0.65
MEN1 O00255 2/20 0.65
ALDH2 P05091 1/20 0.65
CYP19A1 P11511 1/20 0.65
F3 P13726 1/20 0.65
MAOA P21397 1/20 0.65

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
SCHEMBL7793826 1.00 CYP1B1 (0.68) CYP1B1MAOBMAPTTNFRSF1APLIN1
Chalcone SCHEMBL28182634 0.90 CYP1B1 (0.72) CYP1B1MAOBMAPTTNFRSF1APLIN1
SCHEMBL30893663 0.87 MAOB (0.72) CYP1B1MAOBMAPTTNFRSF1APLIN1
SCHEMBL28743306 0.87 MAOB (0.72) CYP1B1MAOBMAPTTNFRSF1APLIN1
Chalcone SCHEMBL29014896 0.86 CYP1B1 (0.85) CYP1B1MAOBMAPTTNFRSF1APLIN1
Chalcone SCHEMBL29014897 0.86 CYP1B1 (0.85) CYP1B1MAOBMAPTTNFRSF1APLIN1
SCHEMBL14524476 0.85 STS (0.67) CYP1B1MAOBMAPTTNFRSF1APLIN1
SCHEMBL10787387 0.85 MAOB (0.57) CYP1B1MAOBMAPTTNFRSF1APLIN1
SCHEMBL10787394 0.85 MAOB (0.57) CYP1B1MAOBMAPTTNFRSF1APLIN1
Chalcone SCHEMBL454583 0.82 CYP1B1 (1.00) CYP1B1MAOBMAPTTNFRSF1APLIN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1025111-B1 METHOD FOR PRODUCING PHOSPHABENZENE COMPOUNDS BASF AG (DE) 2001-11-21 EP disclosed
US-6255532-B1 REACTING PYRILIUM SALTS WITH PHOSPHINE; CONSTANT PRESSURE; ACID CATALYST BASF AKTIENGESELLSCHAFT (DE) 2001-07-03 US disclosed
EP-1025111-A1 METHOD FOR PRODUCING PHOSPHABENZENE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 2000-08-09 EP disclosed
WO-1999016774-A1 METHOD FOR PRODUCING PHOSPHABENZENE COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1999-04-08 WO disclosed