SCHEMBL14049680

SCHEMBL14049680

CC1(C)C(O)CCC2(C)C1CCC1(C)C2CCC2C3CCCC3(C(=O)NCCc3cccc(C(=O)NCc4ccc(N)cc4)c3)CC[C@]21C

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.46
▸ RORC P51449 14/20 0.43
▸ PTPN1 P18031 1/20 0.43
▸ NR1H4 Q96RI1 1/20 0.41

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 0.94 TRPV1 (0.46) TRPV1RORCPTPN1NR1H4
SCHEMBL14049884 0.92 RORC (0.45) TRPV1RORCPTPN1NR1H4
SCHEMBL14049772 0.90 TRPV1 (0.42) TRPV1RORCPTPN1NR1H4
SCHEMBL13637574 0.89 RORC (0.47) TRPV1RORCPTPN1NR1H4
SCHEMBL13628536 0.87 TRPV1 (0.64) TRPV1RORC
SCHEMBL14049682 0.87 TRPV1 (0.43) TRPV1RORCPTPN1NR1H4
SCHEMBL13637654 0.86 RORC (0.42) TRPV1RORCPTPN1NR1H4
SCHEMBL14049773 0.86 TRPV1 (0.43) TRPV1RORCPTPN1NR1H4
SCHEMBL13637674 0.85 RORC (0.48) TRPV1RORCNR1H4
SCHEMBL13637776 0.85 TRPV1 (0.42) TRPV1RORCNR1H4

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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