SCHEMBL11065252

SCHEMBL11065252

COCCOC(=O)c1ccccc1N

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.77
ALDH1A1 P00352 10/20 0.69
HSD17B10 Q99714 7/20 0.69
RAB9A P51151 3/20 0.69
HPGD P15428 3/20 0.69
TDP1 Q9NUW8 3/20 0.69
NPC1 O15118 2/20 0.69
SMN1; SMN2 Q16637 2/20 0.69
L3MBTL1 Q9Y468 2/20 0.69
TP53 P04637 2/20 0.69
CYP3A4 P08684 2/20 0.69
MAPK1 P28482 2/20 0.69
GLA P06280 1/20 0.69
HIF1A Q16665 1/20 0.69
KDM4E B2RXH2 3/20 0.67
MEN1 O00255 1/20 0.67
NFKB1 P19838 1/20 0.67
NFKB2 Q00653 1/20 0.67
KMT2A Q03164 1/20 0.67
RELA Q04206 1/20 0.67

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
Hydrochloric Acid SCHEMBL28492787 0.98 TSHR (0.74) TSHRALDH1A1HSD17B10RAB9AHPGD
SCHEMBL11041492 0.95 TSHR (0.70) TSHRALDH1A1HSD17B10RAB9AHPGD
SCHEMBL1805376 0.91 ALDH1A1 (0.80) TSHRALDH1A1HSD17B10RAB9AHPGD
Ethylene SCHEMBL2585227 0.87 ALDH1A1 (0.75) TSHRALDH1A1HSD17B10RAB9AHPGD
SCHEMBL186285 0.87 TSHR (1.00) TSHRALDH1A1HSD17B10RAB9AHPGD
SCHEMBL29389335 0.87 TSHR (1.00) TSHRALDH1A1HSD17B10RAB9AHPGD
SCHEMBL9420542 0.86 ALDH1A1 (0.73) TSHRALDH1A1HSD17B10RAB9AHPGD
Cyclopropane SCHEMBL3683747 0.86 ALDH1A1 (0.73) TSHRALDH1A1HSD17B10RAB9AHPGD
SCHEMBL9078373 0.85 TSHR (0.65) TSHRALDH1A1HSD17B10RAB9AHPGD
SCHEMBL1477706 0.84 ALDH1A1 (0.81) TSHRALDH1A1HSD17B10RAB9AHPGD

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
EP-3118230-B1 VINYLIDENE FLUORIDE COPOLYMER, METHOD FOR PRODUCING SAME, GEL ELECTROLYTE AND NONAQUEOUS BATTERY KUREHA CORP (JP) 2017-09-13 EP disclosed
US-4424155-A 3-AMINO-1,2,4-OXADIAZOL-5-YL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1984-01-03 US disclosed
US-4379819-A OIL SOLUBLE MONOAZO DYE CIBA-GEIGY AG (CH) 1983-04-12 US disclosed