SCHEMBL14628338

SCHEMBL14628338

C=C(C)[C@@H]1CCC2(C(=O)NCc3ccccn3)CC[C@]3(C)[C@H](CCC4[C@@]5(C)CC[C@H](OC(C)=O)C(C)(C)C5CC[C@]43C)C12

nearest known ligand 0.63

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PRKCG P05129 1/20 0.63
▸ RORC P51449 4/20 0.60
▸ TRPV1 Q8NER1 1/20 0.58
▸ NT5E P21589 5/20 0.58
▸ PRKCD Q05655 1/20 0.57
▸ CETP P11597 1/20 0.55

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
SCHEMBL12557912 1.00 PRKCG (0.63) PRKCGRORCTRPV1NT5EPRKCD
SCHEMBL12557918 0.93 PRKCG (0.61) PRKCGRORCNT5EPRKCD
SCHEMBL13876991 0.90 PTPN1 (0.71) PRKCGRORCTRPV1NT5EPRKCD
SCHEMBL12558108 0.90 PTPN1 (0.71) PRKCGRORCTRPV1NT5EPRKCD
SCHEMBL12593032 0.90 PTPN1 (0.71) PRKCGRORCTRPV1NT5EPRKCD
SCHEMBL12558023 0.90 RORC (0.74) RORCTRPV1NT5E
SCHEMBL12557845 0.89 PRKCG (0.69) PRKCGRORCTRPV1NT5EPRKCD
SCHEMBL12557856 0.88 RORC (0.65) PRKCGRORCTRPV1NT5EPRKCD
SCHEMBL12557862 0.87 TRPV1 (0.62) PRKCGRORCTRPV1NT5EPRKCD
SCHEMBL12557839 0.86 TRPV1 (0.65) PRKCGRORCTRPV1NT5EPRKCD

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-2007002411-A1 ANTIVIRAL COMPOUNDS MYRIAD GENETICS, INC. (US) 2007-01-04 — — WO disclosed
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