SCHEMBL76896

SCHEMBL76896

Cc1cc(C)cc(C(=O)C(NC(=O)c2cccc(C)c2C)C(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
ABCB1 P08183 2/20 0.43
KCNK3 O14649 3/20 0.42
KCNK9 Q9NPC2 3/20 0.42
PYGL P06737 1/20 0.41
CYP2C9 P11712 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
THRB P10828 2/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 1/20 0.39
UTS2R Q9UKP6 1/20 0.39
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
CTSS P25774 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
SCHEMBL76595 0.91 KCNK3 (0.50) NPC1RAB9AKCNK3KCNK9SMN1; SMN2
SCHEMBL76387 0.87 KCNK3 (0.47) NPC1RAB9AKCNK3KCNK9PYGL
SCHEMBL10227846 0.85 ABCB1 (0.59) NPC1RAB9AABCB1KCNK3KCNK9
SCHEMBL77944 0.82 RAB9A (0.45) NPC1RAB9AKCNK3KCNK9SMN1; SMN2
SCHEMBL10227845 0.77 KCNK3 (0.54) NPC1RAB9AABCB1KCNK3KCNK9
SCHEMBL10720290 0.73 ABCB1 (0.54) ABCB1
SCHEMBL669093 0.73 ABCB1 (0.51) NPC1RAB9AABCB1
SCHEMBL8461192 0.72 ABCB1 (0.81) ABCB1
SCHEMBL32672049 0.72 ABCB1 (0.81) ABCB1
SCHEMBL10227844 0.72 NPC1 (0.48) NPC1RAB9AABCB1SMN1; SMN2TP53

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-8129355-B2 Nuclear receptor-based inducible gene expression system; modulating the expression of a gene in a host cell by introducing into the host cell a gene expression modulation system and activating that system using 5-ethyl-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid (1-benzoyl-cyclopentyl)-amide INTREXON CORPORATION (US) 2012-03-06 US disclosed