SCHEMBL7736282

SCHEMBL7736282

CC(C)(C)OC(=O)c1oc([C@H](N)CCc2ccccc2)nc1C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 9/20 0.39
NPC1 O15118 8/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HIF1A Q16665 1/20 0.38
POLB P06746 2/20 0.38
BACE1 P56817 1/20 0.37
PKM P14618 1/20 0.37
CYP1A2 P05177 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALOX12 P18054 1/20 0.37
NPR3 P17342 1/20 0.37
METAP2 P50579 1/20 0.37
LTA4H P09960 1/20 0.37
CASP3 P42574 3/20 0.36
SENP8 Q96LD8 3/20 0.36
SENP7 Q9BQF6 3/20 0.36
SENP6 Q9GZR1 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36

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
SCHEMBL7732052 0.75 RAB9A (0.43) RAB9ANPC1MEN1KMT2AHIF1A
SCHEMBL7861048 0.71 C3AR1 (0.44) RAB9ANPC1MEN1KMT2APKM
SCHEMBL7736280 0.68 DAGLA (0.34) MEN1KMT2AALDH1A1METAP2SMN1; SMN2
SCHEMBL7734004 0.68 RAB9A (0.42) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL7857951 0.66 PSMB5 (0.46) RAB9ANPC1MEN1KMT2AHIF1A
SCHEMBL25166947 0.65 NPC1 (0.53) RAB9ANPC1MEN1KMT2APOLB
SCHEMBL23466400 0.64 AAK1 (0.46) RAB9ANPC1MEN1KMT2ABACE1
SCHEMBL23466402 0.64 AAK1 (0.46) RAB9ANPC1MEN1KMT2ABACE1
SCHEMBL29758106 0.64 AAK1 (0.46) RAB9ANPC1MEN1KMT2ABACE1
SCHEMBL3403454 0.64 KAT6A (0.60) RAB9ANPC1MEN1KMT2AHIF1A

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