SCHEMBL14049778

SCHEMBL14049778

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 2/20 0.40
▸ HSD17B10 Q99714 1/20 0.38
▸ TDP1 Q9NUW8 1/20 0.38
▸ PTPN1 P18031 6/20 0.35
▸ RORC P51449 5/20 0.35
▸ PTPN2 P17706 3/20 0.34
▸ TRPV1 Q8NER1 1/20 0.33

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
SCHEMBL14049871 0.92 NR1H4 (0.41) NR1H4HSD17B10TDP1PTPN1RORC
SCHEMBL14049851 0.91 NR1H4 (0.41) NR1H4HSD17B10TDP1PTPN1RORC
SCHEMBL14049869 0.90 HSD17B10 (0.38) NR1H4HSD17B10TDP1PTPN1RORC
SCHEMBL14049973 0.90 PTPN1 (0.39) NR1H4HSD17B10TDP1PTPN1RORC
SCHEMBL14049834 0.89 RORC (0.36) NR1H4HSD17B10TDP1PTPN1RORC
SCHEMBL14049664 0.89 PTPN1 (0.40) NR1H4HSD17B10TDP1PTPN1RORC
SCHEMBL14049779 0.89 NR1H4 (0.41) NR1H4HSD17B10TDP1PTPN1RORC
SCHEMBL14049665 0.89 NR1H4 (0.37) NR1H4HSD17B10TDP1PTPN1RORC
SCHEMBL14049659 0.88 NR1H4 (0.38) NR1H4HSD17B10TDP1PTPN1RORC
SCHEMBL14049675 0.88 PTPN1 (0.40) 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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