SCHEMBL14628383

SCHEMBL14628383

C=C(C)[C@@H]1CCC2(C(=O)NCCc3cccnc3)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](O)C(C)(C)C5CC[C@]43C)C12

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 14/20 0.73
▸ EGLN2 Q96KS0 1/20 0.64
▸ EGLN1 Q9GZT9 1/20 0.64
▸ EGLN3 Q9H6Z9 1/20 0.64
▸ P4HTM Q9NXG6 1/20 0.64
▸ TRPV1 Q8NER1 1/20 0.63
▸ ALB P02768 2/20 0.61
▸ PTPN1 P18031 2/20 0.61
▸ USP2 O75604 1/20 0.61
▸ LMNA P02545 1/20 0.61
▸ HIF1A Q16665 1/20 0.61
▸ AKR1B10 O60218 1/20 0.61
▸ POLB P06746 1/20 0.61
▸ GLI1 P08151 1/20 0.61
▸ AKR1B1 P15121 1/20 0.61
▸ NT5E P21589 1/20 0.61
▸ DPP4 P27487 1/20 0.61
▸ GPBAR1 Q8TDU6 1/20 0.61
▸ SAE1 Q9UBE0 1/20 0.61
▸ UBA2 Q9UBT2 1/20 0.61

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
SCHEMBL12558036 1.00 RORC (0.73) RORCEGLN2EGLN1EGLN3P4HTM
SCHEMBL12557958 0.94 RORC (0.75) RORCEGLN2EGLN1EGLN3P4HTM
SCHEMBL12558028 0.91 RORC (0.82) RORCEGLN2EGLN1EGLN3P4HTM
SCHEMBL13628225 0.91 RORC (0.73) RORCEGLN2EGLN1EGLN3P4HTM
SCHEMBL13628221 0.88 RORC (0.73) RORCEGLN2EGLN1EGLN3P4HTM
SCHEMBL13637672 0.88 RORC (0.73) RORCEGLN2EGLN1EGLN3P4HTM
SCHEMBL13628276 0.88 RORC (0.68) RORCEGLN2EGLN1EGLN3P4HTM
SCHEMBL13628262 0.86 RORC (0.67) RORCEGLN2EGLN1EGLN3P4HTM
SCHEMBL4445711 0.86 RORC (0.67) RORCEGLN2EGLN1EGLN3P4HTM
SCHEMBL12558031 0.86 RORC (0.72) RORCEGLN2EGLN1EGLN3P4HTM

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-2007002411-A1 ANTIVIRAL COMPOUNDS MYRIAD GENETICS, INC. (US) 2007-01-04 — — WO disclosed
Send feedback