SCHEMBL4433221

SCHEMBL4433221

CC(C)(C)C(=O)OCc1cc2ccccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
KDM4E B2RXH2 5/20 0.48
ALDH1A1 P00352 3/20 0.48
GLA P06280 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.46
NLRP3 Q96P20 1/20 0.44
MAPK1 P28482 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
FLT3 P36888 1/20 0.42
RXFP1 Q9HBX9 2/20 0.42
NPC1 O15118 1/20 0.42
TSHR P16473 3/20 0.41
MAPT P10636 1/20 0.41
DAO P14920 1/20 0.41
HPGD P15428 1/20 0.41
SRD5A2 P31213 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL11623314 0.83 MTNR1A (0.56) MTNR1AMTNR1BKDM4EALDH1A1LOXL2
SCHEMBL16866618 0.78 MTNR1A (0.51) MTNR1AMTNR1BKDM4EALDH1A1LOXL2
SCHEMBL1960980 0.78 LOXL2 (0.56) MTNR1AMTNR1BKDM4EALDH1A1LOXL2
SCHEMBL7428568 0.77 KDM4E (0.52) MTNR1AMTNR1BKDM4EALDH1A1GLA
SCHEMBL7421572 0.74 ALDH1A1 (0.47) KDM4EALDH1A1GLAMAPK1TSHR
SCHEMBL2111019 0.74 LOXL2 (0.58) MTNR1AMTNR1BKDM4EALDH1A1LOXL2
SCHEMBL29045739 0.74 FLT3 (0.46) KDM4EALDH1A1MAPK1FLT3TSHR
SCHEMBL3468800 0.73 MTNR1A (0.51) MTNR1AMTNR1BKDM4EALDH1A1LOXL2
SCHEMBL4280580 0.73 LOXL2 (0.56) MTNR1AMTNR1BKDM4EALDH1A1LOXL2
SCHEMBL15717620 0.72 LOXL2 (0.47) MTNR1AMTNR1BKDM4EALDH1A1LOXL2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104507926-A Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC 2015-04-08 CN disclosed
EP-2121601-A2 NOVEL INDOLE DERIVATIVES, METHODS FOR PREPARING SAME, AND USE THEREOF PARTICULARLY AS ANTIBACTERIAL AGENTS Université Joseph Fourier (FR) 2009-11-25 EP disclosed
WO-2008110690-A2 NOVEL INDOLE DERIVATIVES, METHODS FOR PREPARING SAME, AND USE THEREOF PARTICULARLY AS ANTIBACTERIAL AGENTS UNIVERSITE JOSEPH FOURIER (FR) 2008-09-18 WO disclosed