SCHEMBL19954874

SCHEMBL19954874

CC(C)c1ccc2cc(CC(C)c3ccc4ccsc4c3)sc2c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
SCN4A P35499 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PARP15 Q460N3 1/20 0.32
PARP10 Q53GL7 1/20 0.32
TNKS2 Q9H2K2 1/20 0.32
PARP2 Q9UGN5 1/20 0.32
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31

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
SCHEMBL19308855 0.92 NPC1 (0.34) NPC1SCN4ARAB9ASMN1; SMN2PARP15
SCHEMBL827121 0.81 RAB9A (0.44) NPC1SCN4ARAB9ASMN1; SMN2PARP15
SCHEMBL3798602 0.78 GAA (0.42) NPC1RAB9ASMN1; SMN2HDAC2HDAC8
SCHEMBL827789 0.76 NPC1 (0.41) NPC1SCN4ARAB9ASMN1; SMN2PARP15
SCHEMBL22758445 0.73 CYP2A6 (0.33) NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL24421194 0.72 SMN1; SMN2 (0.32) NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL24253705 0.71 HSP90AB1 (0.34)
SCHEMBL3799813 0.70 CYP2A6 (0.46) NPC1SCN4ARAB9ASMN1; SMN2
SCHEMBL19120041 0.69 OGA (0.37) NPC1SCN4ARAB9ASMN1; SMN2
Butane SCHEMBL827112 0.68 CYP2A6 (0.44) NPC1SCN4ARAB9ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9913855-B2 Uridine diphosphate derivatives, prodrugs, compositions and uses thereof TUFTS UNIVERSITY (US) 2018-03-13 US disclosed