SCHEMBL14049830

SCHEMBL14049830

COC(=O)c1ccc(CNC(=O)c2cccc(CCNC(=O)C34CCCC3C3CCC5C(C)(CCC6C(C)(C)C(=O)CCC65C)C3CC4)c2)nc1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 8/20 0.34
▸ POLB P06746 1/20 0.34
▸ PARP1 P09874 8/20 0.33
▸ KDM5B Q9UGL1 1/20 0.32
▸ ROCK1 Q13464 3/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31

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
SCHEMBL14049860 0.90 ROCK2 (0.35) ROCK2POLBKDM5BROCK1CYP3A4
SCHEMBL14049696 0.84 NR1H4 (0.36) POLB
SCHEMBL14049828 0.84 PTPN1 (0.37) PARP1CYP3A4
SCHEMBL14049803 0.82 NR1H4 (0.35) POLB
SCHEMBL13637644 0.82 GPBAR1 (0.38) POLBPARP1
SCHEMBL13628261 0.80 GPBAR1 (0.51) —
SCHEMBL4444101 0.80 GPBAR1 (0.51) —
SCHEMBL14049793 0.80 ROCK2 (0.35) ROCK2
SCHEMBL14049788 0.80 NR1H4 (0.33) —
SCHEMBL13637776 0.79 TRPV1 (0.42) —

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
WO-2008127364-A2 ANTIVIRAL COMPOUNDS AND USE THEREOF MYRIAD GENETICS, INC. (US) 2008-10-23 — — WO disclosed
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