SCHEMBL16359503

SCHEMBL16359503

CCC(=O)C(C)(C)C1CCCCO1

nearest known ligand 0.31

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL19388394 0.95 KMT2A (0.32) SMN1; SMN2
SCHEMBL15114499 0.79 SLC6A3 (0.33)
SCHEMBL12928721 0.79 KMT2A (0.30)
SCHEMBL8283501 0.78 EPHX1 (0.31)
SCHEMBL38654851 0.75 SLC6A3 (0.36)
SCHEMBL15113784 0.75 SLC6A3 (0.31)
SCHEMBL7919980 0.73 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL16409160 0.73 KMT2A (0.34) SMN1; SMN2
SCHEMBL17816478 0.72 HPGD (0.37) SMN1; SMN2HSD17B10
SCHEMBL13769521 0.72 NPC1 (0.31) SMN1; SMN2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015005901-A1 COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 WO disclosed
WO-2013106520-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-07-18 WO disclosed