SCHEMBL14049793

SCHEMBL14049793

CC1(C)C(O)CCC2(C)C1CCC1(C)C3CCC4(C(=O)NCCc5cccc(C(=O)NCc6ccc(C#N)cn6)c5)CCCC4C3CCC12

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 4/20 0.35
▸ RORC P51449 6/20 0.34
▸ NR1H4 Q96RI1 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ PTPN1 P18031 1/20 0.32
▸ PKN2 Q16513 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ EGFR P00533 1/20 0.32
▸ BTK Q06187 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.31
▸ EGLN1 Q9GZT9 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
SCHEMBL14049696 0.91 NR1H4 (0.36) RORCNR1H4HSD17B10TDP1PTPN1
SCHEMBL14049860 0.90 ROCK2 (0.35) ROCK2RORCNR1H4HSD17B10TDP1
SCHEMBL14049803 0.89 NR1H4 (0.35) RORCNR1H4HSD17B10TDP1PTPN1
SCHEMBL14049859 0.86 HIF1A (0.39) RORCNR1H4HSD17B10TDP1PTPN1
SCHEMBL14049788 0.85 NR1H4 (0.33) RORCNR1H4HSD17B10TDP1PTPN1
SCHEMBL14049664 0.85 PTPN1 (0.40) ROCK2RORCNR1H4HSD17B10TDP1
SCHEMBL14049827 0.84 HSD17B10 (0.35) ROCK2RORCNR1H4GAAHSD17B10
SCHEMBL14049851 0.84 NR1H4 (0.41) RORCNR1H4HSD17B10TDP1PTPN1
SCHEMBL14049879 0.83 RORC (0.36) RORCNR1H4HSD17B10TDP1PTPN1
SCHEMBL14049778 0.83 NR1H4 (0.40) RORCNR1H4HSD17B10TDP1PTPN1

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
Send feedback