SCHEMBL1721733

SCHEMBL1721733

CCOc1cc(C(=O)O)ccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.62
EGFR P00533 1/20 0.58
RXRA P19793 2/20 0.54
RXRB P28702 1/20 0.54
POLB P06746 1/20 0.54
CASP6 P55212 1/20 0.54
HCRTR1 O43613 1/20 0.53
HCRTR2 O43614 1/20 0.53
PTPN11 Q06124 2/20 0.52
TTR P02766 1/20 0.52
SRD5A2 P31213 3/20 0.52
MRGPRX4 Q96LA9 1/20 0.48
LMNA P02545 1/20 0.48
RARB P10826 3/20 0.48
PLA2G4B P0C869 1/20 0.47
HNF4A P41235 1/20 0.47

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
SCHEMBL6536373 0.92 TSHR (0.60) TSHREGFRRXRARXRBPOLB
SCHEMBL25125396 0.90 TSHR (0.57) TSHREGFRRXRARXRBPOLB
SCHEMBL2773040 0.90 TSHR (0.70) TSHRRXRAPOLBCASP6TTR
SCHEMBL3550156 0.84 RXRA (0.66) EGFRRXRARXRBHCRTR1HCRTR2
SCHEMBL1568236 0.83 TTR (0.61) TSHRPOLBCASP6TTRMRGPRX4
SCHEMBL15995703 0.82 ROCK2 (0.64) TSHR
SCHEMBL25048613 0.82 NLRP3 (0.54) TSHREGFRRXRARXRBPOLB
SCHEMBL13586069 0.81 TSHR (0.51) TSHREGFRRXRARXRBPOLB
SCHEMBL29882038 0.81 TSHR (0.83) TSHRPOLBCASP6MRGPRX4LMNA
SCHEMBL177424 0.81 TSHR (0.83) TSHRPOLBCASP6MRGPRX4LMNA

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-2404838-B1 MULTILAYERED PLASTIC CONTAINER HAVING SUPERIOR DROP IMPACT RESISTANCE TOYO SEIKAN KAISHA LTD (JP) 2014-06-04 EP disclosed
EP-2404838-A1 MULTILAYERED PLASTIC CONTAINER HAVING SUPERIOR DROP IMPACT RESISTANCE Toyo Seikan Kaisha, Ltd. (JP) 2012-01-11 EP disclosed
US-20110303685-A1 MULTILAYERED PLASTIC CONTAINER HAVING EXCELLENT DROP IMPACT RESISTANCE TOYO SEIKAN KAISHA, LTD. (JP) 2011-12-15 US disclosed