SCHEMBL9535875

SCHEMBL9535875

[CH2]c1ccc(-c2ccccc2C(=O)OCC)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.61
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 3/20 0.53
SCN1A P35498 3/20 0.52
SCN2A Q99250 3/20 0.52
SCN3A Q9NY46 3/20 0.52
ERN1 O75460 1/20 0.50
MEN1 O00255 2/20 0.49
MAPT P10636 2/20 0.49
KMT2A Q03164 2/20 0.49
USP2 O75604 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
ALOX15 P16050 1/20 0.49
CYP2C19 P33261 1/20 0.49
MAPK10 P53779 1/20 0.49
PTK2B Q14289 1/20 0.49
NCOA1 Q15788 1/20 0.49
NCOA3 Q9Y6Q9 1/20 0.49

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
SCHEMBL29500171 0.87 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL3230316 0.87 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL27686802 0.87 TSHR (0.65) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL396552 0.87 TSHR (0.69) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL8606461 0.86 TSHR (0.62) TSHRALDH1A1HSD17B10SCN1ASCN2A
Bicarbonate SCHEMBL27449726 0.85 TSHR (0.67) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL1665510 0.85 TSHR (0.61) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL8873262 0.84 TSHR (0.61) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL7441914 0.84 ALDH1A1 (0.61) TSHRALDH1A1HSD17B10SCN1ASCN2A
SCHEMBL8601174 0.84 SLC6A4 (0.69) TSHRALDH1A1HSD17B10SCN1ASCN2A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0564960-A1 Imidazopyridines as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-10-13 EP disclosed