SCHEMBL16133709

SCHEMBL16133709

COc1ncc(C(C)C)cc1C(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
FABP3 P05413 2/20 0.34
FABP4 P15090 2/20 0.34
P2RX3 P56373 3/20 0.34
P2RX2 Q9UBL9 3/20 0.34
PIK3CA P42336 3/20 0.33
FABP5 Q01469 1/20 0.33
PIK3R1 P27986 1/20 0.33
RORC P51449 1/20 0.33
MTOR P42345 1/20 0.33
MAPT P10636 1/20 0.33
CASP1 P29466 1/20 0.33
MAP4K1 Q92918 1/20 0.32
DHFR P00374 1/20 0.32
PDCD1 Q15116 2/20 0.32
CD274 Q9NZQ7 2/20 0.32
AURKA O14965 1/20 0.32
TTK P33981 1/20 0.32
AURKB Q96GD4 1/20 0.32

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
SCHEMBL799306 0.80 PIK3CA (0.38) P2RX3P2RX2PIK3CAMTORALDH1A1
SCHEMBL12736481 0.80 RECQL (0.33) P2RX3P2RX2PIK3CAPIK3R1MTOR
SCHEMBL15292546 0.80 PIK3R1 (0.36) P2RX3P2RX2PIK3CAPIK3R1RORC
SCHEMBL16248217 0.78 CRHR1 (0.35) P2RX3P2RX2MAPTCASP1ALDH1A1
SCHEMBL10141619 0.78 PIK3CA (0.42) P2RX3P2RX2PIK3CAPIK3R1MTOR
SCHEMBL12089821 0.78 SMN1; SMN2 (0.39) P2RX3P2RX2PIK3CARORCMAPT
SCHEMBL83967 0.78 MAPT (0.50) P2RX3P2RX2PIK3CAPIK3R1MTOR
SCHEMBL10141659 0.78 GABRA1 (0.38) GABRA1GABRB2MAPTCASP1AURKA
SCHEMBL11890406 0.78 TSHR (0.43) GABRA1P2RX3P2RX2PIK3CAPIK3R1
SCHEMBL115578 0.78 PIK3R1 (0.40) P2RX3P2RX2PIK3CAPIK3R1MAPT

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-9738653-B2 Fused furans for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2017-08-22 US disclosed
EP-2970174-B1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C BRISTOL MYERS SQUIBB CO (US) 2017-05-03 EP disclosed
WO-2014159559-A1 FUSED FURANS FOR THE TREATMENT OF HEPATITIS C BRISTOL-MYERS SQUIBB COMPANY (US) 2014-10-02 WO disclosed