SCHEMBL4660269

SCHEMBL4660269

COc1ccccc1C(c1ccccc1)c1ccccc1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.53
CA2 P00918 3/20 0.53
TP53 P04637 2/20 0.53
TSHR P16473 2/20 0.53
IDO1 P14902 1/20 0.49
TDO2 P48775 1/20 0.49
MAPT P10636 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.47
CYP3A4 P08684 1/20 0.47
ALOX15 P16050 1/20 0.47
ALOX12 P18054 1/20 0.47
MAPK1 P28482 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ACHE P22303 2/20 0.45
BCHE P06276 1/20 0.45
TYR P14679 1/20 0.45
GABRA1 P14867 1/20 0.44

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
SCHEMBL5583967 0.89 CA1 (0.61) CA1CA2TP53TSHRIDO1
SCHEMBL3261670 0.89 IDO1 (0.58) CA1CA2TP53TSHRIDO1
SCHEMBL3039320 0.85 IDO1 (0.58) CA1CA2TP53TSHRIDO1
SCHEMBL51106 0.84 GABRA1 (0.52) CA2TSHRMAPTALDH1A1HPGD
Dimethylamine SCHEMBL10775263 0.83 IDO1 (0.53) CA1CA2TSHRIDO1TDO2
SCHEMBL29678134 0.81 BCHE (0.43) CA1CA2TP53TSHRIDO1
SCHEMBL26735491 0.81 BCHE (0.51) CA1CA2TP53TSHRMAPT
SCHEMBL982045 0.80 GABRA1 (0.52) CA2TSHRMAPTALDH1A1HPGD
SCHEMBL26735499 0.79 BCHE (0.61) CA1CA2TP53TSHRMAPT
SCHEMBL1758215 0.78 GABRA1 (0.54) CA1CA2TSHRMAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001869-A1 PROCESS FOR PRODUCING BIPHENYL-TETRAZOLE COMPOUNDS Ulkar Kimya Sanayii Ve Ticaret A.S. (TR) 2008-12-17 EP disclosed
WO-2006098705-A1 PROCESS FOR PRODUCING BIPHENYL-TETRAZOLE COMPOUNDS ULKAR KIMYA SANAYII VE TICARET AS (TR) 2006-09-21 WO disclosed
US-4152524-A BRONCHODILATORS, HYPOTENSIVE AMERICAN CYANAMID COMPANY (US) 1979-05-01 US disclosed
US-4076947-A BRONCHODILATORS, HYPOTENSIVE AGENTS, ANTIULCER AGENTS AMERICAN CYANAMID COMPANY (US) 1978-02-28 US disclosed