SCHEMBL4051783

SCHEMBL4051783

O=[C]c1ccc2ccccc2c1NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLAU P00749 1/20 0.49
POLB P06746 2/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MAOB P27338 1/20 0.44
MAOA P21397 1/20 0.44
MGLL Q99685 1/20 0.44
ALDH1A1 P00352 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
TSHR P16473 1/20 0.43
CYP2C19 P33261 1/20 0.43
HSD17B10 Q99714 1/20 0.43
P2RX7 Q99572 1/20 0.42
ROCK2 O75116 1/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42

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
SCHEMBL2729182 0.77 TDP1 (0.47) PLAUNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL692063 0.76 MAOB (0.58) PLAUPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL30207785 0.74 PLAU (0.57) PLAUPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL27609941 0.74 PLAU (0.57) PLAUPOLBNPC1RAB9ASMN1; SMN2
SCHEMBL9089790 0.71 LMNA (0.56) POLBNPC1RAB9ASMN1; SMN2MGLL
SCHEMBL8352651 0.71 NPC1 (0.49) POLBNPC1RAB9ASMN1; SMN2MAOB
SCHEMBL9005244 0.70 POLB (0.64) POLBNPC1RAB9ASMN1; SMN2MAOB
SCHEMBL4432278 0.70 MGLL (0.65) POLBNPC1RAB9ASMN1; SMN2MAOB
SCHEMBL30207797 0.70 MGLL (0.65) POLBNPC1RAB9ASMN1; SMN2MAOB
SCHEMBL6945581 0.69 LMNA (0.44) POLBNPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1732891-A4 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC (US) 2009-05-06 EP disclosed
WO-2005087728-A9 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS INC (US) 2007-04-26 WO disclosed
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP disclosed
EP-1732891-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2006-12-20 EP disclosed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2005087728-A1 RESISTANCE-REPELLENT RETROVIRAL PROTEASE INHIBITORS SEQUOIA PHARMACEUTICALS, INC. (US) 2005-09-22 WO disclosed
WO-2001085680-A2 SULFONYL ARYL OR HETEROARYL HYDROXAMIC ACID COMPOUNDS PHARMACIA CORPORATION (US) 2001-11-15 WO disclosed
EP-0983267-A1 AMIDOAROMATIC RING SULFONAMIDE HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 2000-03-08 EP disclosed
WO-1998039329-A1 AMIDOAROMATIC RING SULFONAMIDE HYDROXAMIC ACID COMPOUNDS MONSANTO COMPANY (US) 1998-09-11 WO disclosed