SCHEMBL27716631

SCHEMBL27716631

CC(C)(C)OOC(=O)c1ccc(-c2cccc(Cl)c2F)cc1NC(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 5/20 0.41
HPGD P15428 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 4/20 0.40
NPC1 O15118 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
ACLY P53396 3/20 0.40
PRSS12 P56730 1/20 0.39

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
SCHEMBL27696814 0.87 HSD17B10 (0.45) ALDH1A1KDM4EHPGDTDP1CYP1A2
SCHEMBL27696865 0.86 ACLY (0.42) ALDH1A1KDM4EHPGDTDP1CYP1A2
SCHEMBL2270919 0.83 ACLY (0.56) HPGDTDP1RAB9ANPC1SMN1; SMN2
SCHEMBL27696987 0.83 ACLY (0.51) ALDH1A1KDM4EHPGDTDP1HSD17B10
SCHEMBL27716642 0.83 ACLY (0.53) ALDH1A1KDM4ETDP1HSD17B10TSHR
SCHEMBL27696880 0.82 HDAC1 (0.50) ALDH1A1KDM4ETDP1CYP1A2HSD17B10
SCHEMBL27696815 0.80 F10 (0.44) ALDH1A1KDM4ETDP1HSD17B10TSHR
SCHEMBL28943768 0.80 DHPS (0.47) ALDH1A1KDM4ETDP1HSD17B10TSHR
SCHEMBL27848558 0.79 HDAC2 (0.51) ALDH1A1KDM4ETDP1HSD17B10TSHR
SCHEMBL27696797 0.79 F11 (0.44) ALDH1A1HPGDTDP1CYP1A2HSD17B10

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