SCHEMBL27716617

SCHEMBL27716617

CC(C)(C)OOC(=O)c1ccc(CCCc2ccccc2)cc1N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.46
TSHR P16473 2/20 0.46
HSD17B10 Q99714 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HPGD P15428 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KDM4E B2RXH2 2/20 0.38
ROCK2 O75116 1/20 0.38
ROCK1 Q13464 1/20 0.38
POLB P06746 1/20 0.38
LMNA P02545 2/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL27696840 0.97 ALDH1A1 (0.46) ALDH1A1TSHRHSD17B10TDP1HPGD
SCHEMBL2272911 0.87 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10TDP1HPGD
SCHEMBL2276046 0.85 ALDH1A1 (0.45) ALDH1A1TSHRHSD17B10TDP1HPGD
SCHEMBL1316729 0.82 ALDH1A1 (0.47) ALDH1A1TSHRHSD17B10TDP1HPGD
SCHEMBL27716638 0.79 HSD17B10 (0.46) ALDH1A1TSHRHSD17B10TDP1NPC1
SCHEMBL12394323 0.78 MCL1 (0.50) ALDH1A1TSHRHSD17B10TDP1HPGD
SCHEMBL27716624 0.77 PLK1 (0.47) ALDH1A1TSHRHSD17B10TDP1MAPK1
SCHEMBL12394303 0.75 MAOB (0.52) ALDH1A1MAPK1SMN1; SMN2MAPTHDAC8
SCHEMBL28330843 0.75 ALDH1A1 (0.59) ALDH1A1TSHRHSD17B10TDP1HPGD
Methane SCHEMBL27927291 0.73 ALDH1A1 (0.58) ALDH1A1TSHRHSD17B10TDP1HPGD

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