SCHEMBL16339259

SCHEMBL16339259

CCCCCc1ccccc1/C=C/C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 9/20 0.55
PTGER2 P43116 9/20 0.55
PTGER4 P35408 7/20 0.55
TBXA2R P21731 4/20 0.51
PTGDR Q13258 4/20 0.51
BID P55957 3/20 0.50
MCL1 Q07820 3/20 0.50
BCL2L1 Q07817 2/20 0.50
BAK1 Q16611 2/20 0.50
KAT8 Q9H7Z6 2/20 0.50
SAE1 Q9UBE0 2/20 0.50
PPARA Q07869 2/20 0.50
PPARG P37231 1/20 0.50
EP300 Q09472 1/20 0.50
KAT2A Q92830 1/20 0.50
KAT2B Q92831 1/20 0.50
KAT5 Q92993 1/20 0.50
PTGFR P43088 3/20 0.49
PTGER1 P34995 2/20 0.49
CA1 P00915 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
SCHEMBL16339260 1.00 PTGER3 (0.55) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL2356096 0.98 PTGER3 (0.54) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL6437827 0.98 PTGER3 (0.54) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL3250731 0.98 PTGER3 (0.54) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL489896 0.98 PTGER3 (0.54) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL291771 0.98 PTGER3 (0.54) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL3684323 0.98 PTGER3 (0.54) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL7530108 0.95 PTGER3 (0.56) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL8702148 0.95 PTGER3 (0.56) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL1542126 0.95 PTGER3 (0.56) PTGER3PTGER2PTGER4TBXA2RPTGDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8921614-B1 Selective deoxygenation of hydroxybenzaldehydes THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2014-12-30 US claimed
US-8921614-B1 Selective deoxygenation of hydroxybenzaldehydes THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE NAVY (US) 2014-12-30 US disclosed