SCHEMBL3715972

SCHEMBL3715972

CC(C)Oc1ccc(C(C#N)CNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSS P25774 12/20 0.46
CTSK P43235 11/20 0.46
CTSB P07858 3/20 0.41
CTSL P07711 2/20 0.41
NR1H4 Q96RI1 1/20 0.39
SYK P43405 1/20 0.39
ACACB O00763 2/20 0.39
CNR2 P34972 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
BRD4 O60885 1/20 0.38

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
SCHEMBL3651290 0.84 CTSS (0.46) CTSSCTSKCTSBCTSLSYK
SCHEMBL3654576 0.84 CTSS (0.46) CTSSCTSKCTSBCTSLSYK
SCHEMBL5170834 0.83 CTSS (0.61) CTSSCTSKCTSBCTSLSYK
SCHEMBL2002111 0.78 CTSS (0.53) CTSSCTSKCTSBCTSLSYK
SCHEMBL28498781 0.76 CTSS (0.43) CTSSCTSKCTSBCTSLSYK
SCHEMBL2809280 0.76 CTSK (0.48) CTSSCTSKCTSBCTSLACACB
SCHEMBL2809279 0.76 CTSK (0.48) CTSSCTSKCTSBCTSLACACB
SCHEMBL3660901 0.75 CTSS (0.48) CTSSCTSKCTSBCTSL
SCHEMBL21523879 0.75 NPC1 (0.64) NR1H4NPC1RAB9A
SCHEMBL7517658 0.73 ACACB (0.59) NR1H4ACACBNPC1RAB9ABRD4

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-2010108059-A1 SUBSTITUTED PYRIMIDINE DERIVATIVES AS ANTAGONISTS OF THE HISTAMINE H4 RECEPTOR INCYTE CORPORATION (US) 2010-09-23 WO disclosed