SCHEMBL14049781

SCHEMBL14049781

CC1(C)C(O)CCC2(C)C1CCC1(C)C3CCC4(C(=O)NCCc5cccc(C(=O)NCc6ncccc6C(=O)O)c5)CCCC4C3CCC12

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ PTPN1 P18031 4/20 0.34
▸ RORC P51449 5/20 0.34
▸ ABCB1 P08183 1/20 0.32
▸ PTPN2 P17706 3/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ PARP1 P09874 1/20 0.31
▸ MYC P01106 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
SCHEMBL14049789 0.94 TRPV1 (0.33) NR1H4HSD17B10TDP1PTPN1RORC
SCHEMBL14049914 0.90 NR1H4 (0.35) NR1H4HSD17B10TDP1PTPN1RORC
SCHEMBL14049664 0.88 PTPN1 (0.40) NR1H4HSD17B10TDP1PTPN1RORC
SCHEMBL14049851 0.88 NR1H4 (0.41) NR1H4HSD17B10TDP1PTPN1RORC
SCHEMBL14049696 0.88 NR1H4 (0.36) NR1H4HSD17B10TDP1PTPN1RORC
SCHEMBL14049687 0.88 TRPV1 (0.39) NR1H4HSD17B10TDP1PTPN1RORC
SCHEMBL14049674 0.86 TRPV1 (0.34) NR1H4HSD17B10TDP1PTPN1RORC
SCHEMBL14049675 0.86 PTPN1 (0.40) NR1H4HSD17B10TDP1PTPN1RORC
SCHEMBL14049973 0.85 PTPN1 (0.39) NR1H4HSD17B10TDP1PTPN1RORC
SCHEMBL14049666 0.85 NR1H4 (0.36) NR1H4HSD17B10TDP1PTPN1RORC

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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