SCHEMBL14049772

SCHEMBL14049772

C[C@H](O)CNC(=O)c1ccc(CNC(=O)c2cccc(CCNC(=O)C34CCCC3C3CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)[C@]3(C)CC4)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.42
▸ NR1H4 Q96RI1 2/20 0.41
▸ RORC P51449 11/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ GPBAR1 Q8TDU6 2/20 0.39
▸ PRKCD Q05655 1/20 0.39

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
SCHEMBL14049844 0.91 TRPV1 (0.46) TRPV1NR1H4RORCPTPN1
SCHEMBL14049680 0.90 TRPV1 (0.46) TRPV1NR1H4RORCPTPN1
SCHEMBL14049773 0.90 TRPV1 (0.43) TRPV1NR1H4RORCPTPN1
SCHEMBL14049682 0.89 TRPV1 (0.43) TRPV1NR1H4RORCPTPN1
SCHEMBL14049884 0.89 RORC (0.45) TRPV1NR1H4RORCPTPN1
SCHEMBL14049672 0.86 TRPV1 (0.41) TRPV1NR1H4RORCPTPN1
SCHEMBL13637574 0.86 RORC (0.47) TRPV1NR1H4RORCPTPN1GPBAR1
SCHEMBL13637654 0.85 RORC (0.42) TRPV1NR1H4RORCPTPN1
SCHEMBL13637776 0.84 TRPV1 (0.42) TRPV1NR1H4RORC
SCHEMBL13637674 0.83 RORC (0.48) TRPV1NR1H4RORCGPBAR1

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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