SCHEMBL8905136

SCHEMBL8905136

CC(C)(C)OC(=O)COC1CCC(NC(=O)c2cc3cc(C(=N)NCc4ccccc4)ccc3o2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.40
F2 P00734 2/20 0.39
NPC1 O15118 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NR1I2 O75469 1/20 0.39
AHR P35869 1/20 0.39
HTT P42858 1/20 0.39
TP53 P04637 1/20 0.39
TPSAB1 Q15661 1/20 0.39
TPSD1 Q9BZJ3 1/20 0.39
TPSG1 Q9NRR2 1/20 0.39
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
HTR2A P28223 1/20 0.38
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37

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
SCHEMBL8712955 1.00 RAB9A (0.40) RAB9AF2NPC1ALDH1A1HPGD
SCHEMBL8718406 0.89 RAB9A (0.44) RAB9AF2NPC1ALDH1A1HPGD
SCHEMBL8904203 0.89 RAB9A (0.44) RAB9AF2NPC1ALDH1A1HPGD
SCHEMBL8904935 0.88 RAB9A (0.38) RAB9AF2NPC1ALDH1A1HPGD
SCHEMBL8903361 0.87 F2 (0.51) RAB9AF2NPC1TPSAB1TPSD1
SCHEMBL8712867 0.87 F2 (0.51) RAB9AF2NPC1TPSAB1TPSD1
SCHEMBL8904008 0.79 CETP (0.43) RAB9ANPC1DRD2
SCHEMBL8715642 0.79 CETP (0.43) RAB9ANPC1DRD2
SCHEMBL8715772 0.78 ACHE (0.45) ALDH1A1HPGDSMN1; SMN2KDM4EHTR1A
SCHEMBL8904590 0.77 TPSAB1 (0.53) RAB9AF2NPC1TPSAB1TPSD1

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
US-5635527-A ANTAGONIST OF PLATELET MEMBRANE GLYCOPROTEIN; TREATMENT OF THROMBOTIC DISEASES THE GREEN CROSS CORPORATION (JP) 1997-06-03 US disclosed
EP-0712844-A1 NOVEL FUSED-RING CARBOXYLIC ACID COMPOUND OR SALT THEREOF, AND MEDICINAL USE THEREOF THE GREEN CROSS CORPORATION (JP) 1996-05-22 EP disclosed