SCHEMBL27716624

SCHEMBL27716624

CC(C)(C)OOC(=O)c1ccc(CCCCc2ccccc2)cc1NC(=O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 12/20 0.47
PLK3 Q9H4B4 6/20 0.47
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
HDAC1 Q13547 1/20 0.42
SLC16A3 O15427 1/20 0.42
NR1H4 Q96RI1 1/20 0.42
TRPV1 Q8NER1 1/20 0.42
LTC4S Q16873 1/20 0.42
MCL1 Q07820 1/20 0.42
BCL2A1 Q16548 1/20 0.42

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
SCHEMBL27716638 0.98 HSD17B10 (0.46) PLK1PLK3HSD17B10ALDH1A1TSHR
SCHEMBL2271237 0.89 PLK1 (0.48) PLK1PLK3HSD17B10KDM4EMAPK1
SCHEMBL27696859 0.87 PLK1 (0.42) PLK1PLK3HSD17B10ALDH1A1TSHR
SCHEMBL2274675 0.87 PLK1 (0.46) PLK1PLK3HSD17B10TDP1KDM4E
SCHEMBL27696874 0.84 HSD17B10 (0.43) PLK1HSD17B10ALDH1A1TSHRTDP1
SCHEMBL2272409 0.81 PLK1 (0.63) PLK1PLK3TDP1HDAC1SLC16A3
SCHEMBL27696833 0.81 HDAC1 (0.46) HSD17B10ALDH1A1TSHRTDP1KDM4E
SCHEMBL27696840 0.79 ALDH1A1 (0.46) HSD17B10ALDH1A1TSHRTDP1KDM4E
Aniline SCHEMBL27696813 0.79 MAPT (0.51) HSD17B10ALDH1A1TSHRTDP1KDM4E
SCHEMBL2271236 0.79 PLK1 (0.60) PLK1PLK3TDP1HDAC1LTC4S

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
CN-101094829-B novel anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO.,LTD. (JP) 2012-02-08 CN disclosed
CN-101094829-A Novel anthranilic acid derivative or salt thereof TOYAMA CHEMICAL CO LTD (JP) 2007-12-26 CN disclosed