SCHEMBL14049880

SCHEMBL14049880

C=C(C)C1CCC2(C(=O)NCc3cccc(C(=O)NCCCCC(=O)O)c3)CCC3C(CCC4C3(C)CCC3C(C)(C)C(=O)CCC34C)C12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ GPBAR1 Q8TDU6 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NT5E P21589 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ TRPV1 Q8NER1 1/20 0.39
▸ RORC P51449 6/20 0.37
▸ MGAM O43451 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ CETP P11597 1/20 0.35
▸ PDE5A O76074 1/20 0.34

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
SCHEMBL14049921 0.90 HSD17B10 (0.55) HSD17B10TDP1LMNATRPV1RORC
SCHEMBL13628477 0.88 GPBAR1 (0.58) GPBAR1LMNANT5ESMN1; SMN2TRPV1
SCHEMBL13637791 0.88 GPBAR1 (0.58) GPBAR1LMNANT5ESMN1; SMN2TRPV1
SCHEMBL14049776 0.80 HSD17B10 (0.56) HSD17B10TDP1LMNATRPV1RORC
SCHEMBL14049838 0.79 HSD17B10 (0.56) HSD17B10TDP1GPBAR1LMNANT5E
SCHEMBL14049785 0.79 HSD17B10 (0.58) HSD17B10TDP1GPBAR1LMNANT5E
SCHEMBL13628320 0.79 TRPV1 (0.66) GPBAR1LMNANT5ETRPV1RORC
SCHEMBL13637465 0.79 TRPV1 (0.66) GPBAR1LMNANT5ETRPV1RORC
SCHEMBL4445877 0.79 TRPV1 (0.66) GPBAR1LMNANT5ETRPV1RORC
SCHEMBL13628322 0.78 TRPV1 (0.65) GPBAR1LMNANT5ETRPV1RORC

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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