SCHEMBL7733548

SCHEMBL7733548

CC(C)C[C@@H](N)C(O)c1nc2cc(Oc3ccccc3)ccc2o1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 6/20 0.46
HSD17B10 Q99714 2/20 0.39
RAF1 P04049 2/20 0.39
BRAF P15056 2/20 0.39
TSHR P16473 1/20 0.38
PTGS2 P35354 2/20 0.37
ANPEP P15144 1/20 0.36
LAP3 P28838 1/20 0.36
LNPEP Q9UIQ6 1/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
LRRK2 Q5S007 1/20 0.35
ACHE P22303 1/20 0.34

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
SCHEMBL7730784 0.83 METAP2 (0.40) HSD17B10RAF1BRAFTSHRNPC1
SCHEMBL27394951 0.79 HSD17B10 (0.48) HSD17B10RAF1BRAFTSHRNPC1
SCHEMBL8060603 0.76 NPC1 (0.42) NPC1RAB9A
SCHEMBL7733577 0.74 AAK1 (0.45) AAK1HSD17B10NPC1RAB9A
SCHEMBL11116315 0.70 L3MBTL1 (0.59) HSD17B10RAF1BRAFTSHRPTGS2
SCHEMBL11324520 0.69 HSD17B10 (0.50) HSD17B10RAF1BRAFTSHRNPC1
SCHEMBL7722996 0.68 AAK1 (0.47) AAK1LNPEP
SCHEMBL5422053 0.68 NPC1 (0.41) HSD17B10TSHRNPC1RAB9A
SCHEMBL5424291 0.68 NPC1 (0.41) HSD17B10TSHRNPC1RAB9A
SCHEMBL6465610 0.68 NPC1 (0.41) HSD17B10TSHRNPC1RAB9A

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-6436980-B1 TRANSPORT PROTEIN SUPPRESSORS; MICROBIOCIDES ESSENTIAL THERAPEUTICS, INC. 2002-08-20 US disclosed
US-6204279-B1 SECONDARY AMIDE CONTAINING BENZOXAZOLE DERIVATIVES MICROCIDE PHARMACEUTICALS, INC. 2001-03-20 US disclosed