SCHEMBL76387

SCHEMBL76387

Cc1cccc(C(=O)NC(C(=O)c2ccccc2)C(C)(C)C)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 2/20 0.47
KCNK9 Q9NPC2 2/20 0.47
HPGD P15428 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TP53 P04637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
THRB P10828 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
LMNA P02545 2/20 0.42
TSHR P16473 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.42
POLB P06746 2/20 0.41
CCR1 P32246 1/20 0.41
HSP90AA1 P07900 1/20 0.41
ATM Q13315 1/20 0.41
CYP2C9 P11712 2/20 0.40
MEN1 O00255 1/20 0.40
AKR1B10 O60218 1/20 0.40

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 0.88 KCNK3 (0.50) KCNK3KCNK9NPC1RAB9ASMN1; SMN2
SCHEMBL76896 0.87 NPC1 (0.45) KCNK3KCNK9NPC1RAB9ATP53
SCHEMBL77944 0.84 RAB9A (0.45) KCNK3KCNK9NPC1RAB9ATP53
SCHEMBL76893 0.77 SMN1; SMN2 (0.54) HPGDNPC1RAB9ATP53ALDH1A1
SCHEMBL76588 0.77 SMN1; SMN2 (0.54) HPGDNPC1RAB9ATP53ALDH1A1
SCHEMBL5221653 0.77 HPGD (0.56) KCNK3KCNK9HPGDTP53ALDH1A1
SCHEMBL4138863 0.75 HPGD (0.77) KCNK3KCNK9HPGDNPC1RAB9A
SCHEMBL10227845 0.74 KCNK3 (0.54) KCNK3KCNK9NPC1RAB9AALDH1A1
SCHEMBL10227844 0.73 NPC1 (0.48) HPGDNPC1RAB9ATP53SMN1; SMN2
SCHEMBL16235129 0.73 CCR1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2HTT

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
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
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