SCHEMBL7768437

SCHEMBL7768437

CC(O)c1ccc(C(=O)O)cc1C(C)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 4/20 0.50
GRM1 Q13255 2/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CYP1A2 P05177 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
TSHR P16473 4/20 0.44
TP53 P04637 1/20 0.44
KDM4E B2RXH2 3/20 0.43
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA4 P22748 2/20 0.43
CA6 P23280 2/20 0.43
CA7 P43166 2/20 0.43
CA9 Q16790 2/20 0.43
CA14 Q9ULX7 2/20 0.43
GAA P10253 2/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL31401118 0.84 GRM1 (0.50) ACE2GRM1KMT2AMEN1CYP1A2
SCHEMBL9068206 0.84 KDM4E (0.55) ACE2GRM1KMT2AMEN1CYP1A2
SCHEMBL16115781 0.84 ACE2 (0.56) ACE2GRM1KMT2AMEN1CYP1A2
SCHEMBL4577143 0.84 ACE2 (0.56) ACE2GRM1KMT2AMEN1CYP1A2
SCHEMBL23896809 0.82 LMNA (0.51) ACE2GRM1KMT2AMEN1CYP1A2
SCHEMBL30848060 0.82 ACE2 (0.46) ACE2GRM1KMT2AMEN1CYP1A2
SCHEMBL29171910 0.82 ACE2 (0.46) ACE2GRM1KMT2AMEN1CYP1A2
SCHEMBL616934 0.82 ACE2 (0.42) ACE2GRM1KMT2AMEN1CYP1A2
SCHEMBL13816269 0.81 ACE2 (0.61) ACE2GRM1KMT2AMEN1CYP1A2
SCHEMBL24214171 0.78 AKR1C3 (0.43) ACE2GRM1KMT2AMEN1CYP1A2

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-0671283-B1 Thermal transfer imaging process AGFA GEVAERT NV (BE) 2001-07-04 EP disclosed
US-5589317-A Thermal transfer imaging process AGFA-GEVAERT N.V. (BE) 1996-12-31 US disclosed
EP-0671283-A1 Thermal transfer imaging process AGFA-GEVAERT N.V. (BE) 1995-09-13 EP disclosed