SCHEMBL14049852

SCHEMBL14049852

COC(=O)c1cc(CNC(=O)c2cccc(CCNC(=O)C34CCCC3C3CCC5C(C)(CCC6C(C)(C)C(O)CCC65C)C3CC4)c2)ccc1O

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 3/20 0.41
▸ PTPN1 P18031 3/20 0.35
▸ NR1H4 Q96RI1 1/20 0.34
▸ ROCK2 O75116 4/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ PTPN2 P17706 2/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ROCK1 Q13464 1/20 0.33
▸ RORC P51449 2/20 0.32
▸ PKN2 Q16513 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
SCHEMBL14049687 0.94 TRPV1 (0.39) TRPV1PTPN1NR1H4ROCK2HSD17B10
SCHEMBL14049670 0.89 TRPV1 (0.42) TRPV1PTPN1NR1H4ROCK2HSD17B10
SCHEMBL14049789 0.88 TRPV1 (0.33) TRPV1PTPN1NR1H4ROCK2HSD17B10
SCHEMBL14049664 0.88 PTPN1 (0.40) TRPV1PTPN1NR1H4ROCK2HSD17B10
SCHEMBL14049675 0.87 PTPN1 (0.40) TRPV1PTPN1NR1H4ROCK2HSD17B10
SCHEMBL14049860 0.86 ROCK2 (0.35) TRPV1PTPN1NR1H4ROCK2HSD17B10
SCHEMBL14049851 0.86 NR1H4 (0.41) PTPN1NR1H4HSD17B10TDP1PTPN2
SCHEMBL14049973 0.86 PTPN1 (0.39) TRPV1PTPN1NR1H4ROCK2HSD17B10
SCHEMBL14049674 0.86 TRPV1 (0.34) TRPV1PTPN1NR1H4ROCK2HSD17B10
SCHEMBL14049777 0.85 NR1H4 (0.36) TRPV1PTPN1NR1H4HSD17B10TDP1

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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