SCHEMBL20055039

SCHEMBL20055039

CCC(C)c1ccc2c(=O)c3cc(C(C)C)ccc3n(C)c2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORA P35398 1/20 0.41
RORC P51449 1/20 0.41
RORB Q92753 1/20 0.41
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 5/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
TLR9 Q9NR96 1/20 0.38
TRIM24 O15164 1/20 0.36
BRD1 O95696 1/20 0.36
BRPF1 P55201 1/20 0.36
HDAC4 P56524 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
POLB P06746 1/20 0.35
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
TBK1 Q9UHD2 1/20 0.34

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
SCHEMBL17656218 0.96 ATM (0.43) RORARORCRORBATML3MBTL1
SCHEMBL2705512 0.90 ATM (0.47) RORARORCRORBATML3MBTL1
SCHEMBL25752331 0.84 ATM (0.46) RORARORCRORBATML3MBTL1
SCHEMBL14985669 0.82 ATM (0.43) RORARORCRORBATML3MBTL1
SCHEMBL9980158 0.82 ATM (0.43) RORARORCRORBATML3MBTL1
SCHEMBL9968161 0.81 ALDH1A1 (0.44) RORARORCRORBL3MBTL1MEN1
SCHEMBL8091816 0.80 NPC1 (0.56) RORARORCRORBATML3MBTL1
SCHEMBL9976988 0.77 ALDH1A1 (0.51) RORARORCRORBMEN1KMT2A
SCHEMBL25752342 0.74 ALDH1A1 (0.50) RORARORCRORBTBK1CASR
SCHEMBL12083593 0.74 GPR3 (0.52) RORARORCRORBL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3309157-A1 ANTIVIRAL COMPOUNDS Gilead Pharmasset LLC (US) 2018-04-18 EP disclosed