SCHEMBL7992543

SCHEMBL7992543

CCOC(=O)c1ccccc1N=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.69
ALDH1A1 P00352 3/20 0.59
HSD17B10 Q99714 3/20 0.59
ACHE P22303 1/20 0.52
POLB P06746 1/20 0.51
KMT2A Q03164 2/20 0.50
CDC25B P30305 2/20 0.50
CYP3A4 P08684 2/20 0.50
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
ALOX15 P16050 1/20 0.50
CYP2C19 P33261 1/20 0.50
MAPK10 P53779 1/20 0.50
PTK2B Q14289 1/20 0.50
NCOA1 Q15788 1/20 0.50
NCOA3 Q9Y6Q9 1/20 0.50
KDM4E B2RXH2 2/20 0.48

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
SCHEMBL13133444 0.86 TSHR (0.59) TSHRALDH1A1HSD17B10ACHEPOLB
SCHEMBL9160160 0.84 TSHR (0.67) TSHRALDH1A1HSD17B10ACHEPOLB
SCHEMBL8995870 0.84 TSHR (0.67) TSHRALDH1A1HSD17B10ACHEPOLB
SCHEMBL14384515 0.83 TSHR (0.73) TSHRALDH1A1HSD17B10POLBCYP3A4
SCHEMBL439436 0.83 TSHR (0.65) TSHRALDH1A1HSD17B10ACHEPOLB
SCHEMBL1773527 0.83 TSHR (0.65) TSHRALDH1A1HSD17B10ACHEPOLB
Diethyl Phthalate SCHEMBL29404255 0.82 TSHR (1.00) TSHRALDH1A1HSD17B10KMT2ACDC25B
Diethyl Phthalate SCHEMBL5306972 0.82 TSHR (1.00) TSHRALDH1A1HSD17B10KMT2ACDC25B
Diethyl Phthalate SCHEMBL22296 0.82 TSHR (1.00) TSHRALDH1A1HSD17B10KMT2ACDC25B
SCHEMBL13132294 0.81 TSHR (0.53) TSHRALDH1A1HSD17B10ACHEPOLB

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-101927005-B Method for solubilizing carbon nano tube by using supramolecular complex and controlling solubility of carbon nano tube by using light CHINESE ACAD TECH INST PHYSICS 2012-11-07 CN disclosed
CN-101927005-A Method for solubilizing carbon nano tube by using supramolecular complex and controlling solubility of carbon nano tube by using light CHINESE ACAD TECH INST PHYSICS 2010-12-29 CN disclosed
US-6187950-B1 A REGULATORS OF CELL PROLIFERATION AND DIFFERENTIATION, FOR TREATING SKIN-RELATED DISEASES, INCLUDING, ACTINIC KERATOSES, ARSENIC KERATOSES, INFLAMMATORY AND NON-INFLAMMATORY ACNE, PSORIASIS, ICHTHYOSES ALLERGAN, INC. 2001-02-13 US disclosed