SCHEMBL8439409

SCHEMBL8439409

NC(=O)OC(=O)c1ccccc1C(=O)OC(N)=O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
ALDH1A1 P00352 7/20 0.44
HSD17B10 Q99714 3/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
HPGD P15428 1/20 0.44
CFTR P13569 1/20 0.43
CYP3A4 P08684 2/20 0.42
NPC1 O15118 1/20 0.42
ALOX15 P16050 1/20 0.42
METAP2 P50579 1/20 0.41
CTNNB1 P35222 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
LMNA P02545 1/20 0.40
BCAT2 O15382 1/20 0.40
IRAK4 Q9NWZ3 1/20 0.39
TP53 P04637 1/20 0.39
MAPK1 P28482 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
SCHEMBL9950596 0.87 ALDH1A1 (0.62) TSHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL10780992 0.87 HPGD (0.59) TSHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL28360457 0.85 PTPN2 (0.49) TSHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL28479127 0.85 MAPT (0.52) TSHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL3060484 0.84 TSHR (0.36) TSHRALDH1A1HSD17B10KDM4EMAPT
Hydrochloric Acid SCHEMBL2145842 0.83 CES2 (0.52) ALDH1A1MAPTHPGDNPC1ALOX15
SCHEMBL9548507 0.83 ALDH1A1 (0.54) TSHRALDH1A1HSD17B10KDM4EMAPT
SCHEMBL10499420 0.82 NR4A1 (0.55) ALDH1A1KDM4EMAPTHPGDNPC1
SCHEMBL717176 0.82 HPGD (0.57) TSHRALDH1A1HSD17B10MAPTHPGD
SCHEMBL1706209 0.79 CTSD (0.56) ALDH1A1KDM4EMAPTCYP3A4NPC1

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-113030079-B Method for detecting pesticide carbaryl based on nanogold etching 中南民族大学 2022-05-20 CN disclosed
US-5976454-A Process for producing open-celled, inorganic sintered foam products BASF AKTIENGESELLSCHAFT (DE) 1999-11-02 US disclosed