SCHEMBL16670764

SCHEMBL16670764

O=C(O)c1ccccc1Cc1ccc2ccccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.63
TBXA2R P21731 1/20 0.58
PTGER4 P35408 1/20 0.58
PTGFR P43088 1/20 0.58
PTGER3 P43115 1/20 0.58
PTGER2 P43116 1/20 0.58
PTGDR Q13258 1/20 0.58
CAPN1 P07384 1/20 0.57
CYP1A2 P05177 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C19 P33261 1/20 0.54
ALOX5 P09917 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
SOX18 P35713 1/20 0.51
HCAR2 Q8TDS4 1/20 0.49
FTO Q9C0B1 1/20 0.47
SLC16A3 O15427 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
SCHEMBL27874722 0.88 TSHR (0.60) TSHRTBXA2RPTGER4PTGFRPTGER3
SCHEMBL29154506 0.85 TBXA2R (0.54) TSHRTBXA2RPTGER4PTGFRPTGER3
SCHEMBL28177161 0.85 TBXA2R (0.54) TSHRTBXA2RPTGER4PTGFRPTGER3
SCHEMBL30100404 0.85 ACMSD (0.55) TSHRTBXA2RPTGER4PTGFRPTGER3
SCHEMBL1527446 0.85 ACMSD (0.55) TSHRTBXA2RPTGER4PTGFRPTGER3
SCHEMBL28394799 0.83 PTGER4 (0.51) TSHRTBXA2RPTGER4PTGFRPTGER3
SCHEMBL29026504 0.81 TBXA2R (0.50) TSHRTBXA2RPTGER4PTGFRPTGER3
SCHEMBL23003 0.80 TSHR (0.79) TSHRCAPN1CYP2C9CA1CA2
SCHEMBL28370887 0.78 TSHR (0.76) TSHRCAPN1CYP2C9CA1CA2
Ammonia Solution, Strong SCHEMBL27527756 0.78 TSHR (0.76) TSHRCAPN1CYP2C9CA1CA2

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
WO-2015061198-A1 BLUE LUMINESCENT COMPOUNDS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2015-04-30 WO disclosed