SCHEMBL2168673

SCHEMBL2168673

CC(C)Oc1ccc2cc(CC(=O)O)ccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.71
AKR1C3 P42330 1/20 0.71
AKR1C2 P52895 1/20 0.71
POLB P06746 2/20 0.56
FFAR4 Q5NUL3 1/20 0.53
LMNA P02545 2/20 0.49
GAA P10253 3/20 0.49
ALDH1A1 P00352 2/20 0.49
KDM4E B2RXH2 2/20 0.48
KMT2A Q03164 1/20 0.47
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
NR1H4 Q96RI1 1/20 0.46
AKR1B1 P15121 1/20 0.45
TSHR P16473 2/20 0.45
NFKB1 P19838 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45

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
SCHEMBL961317 0.86 POLB (0.73) PTGS1AKR1C3AKR1C2POLBLMNA
SCHEMBL9503975 0.84 PTGS1 (0.54) PTGS1AKR1C3AKR1C2POLBFFAR4
SCHEMBL11739989 0.83 PTGS1 (0.66) PTGS1AKR1C3AKR1C2POLBLMNA
6-Methoxy-2-Naphthylacetic Acid SCHEMBL253759 0.83 AKR1C3 (1.00) PTGS1AKR1C3AKR1C2POLBLMNA
SCHEMBL756841 0.82 PTGS1 (0.71) PTGS1AKR1C3AKR1C2POLBLMNA
6-Methoxy-2-Naphthylacetic Acid SCHEMBL9504315 0.81 AKR1C3 (0.97) PTGS1AKR1C3AKR1C2POLBLMNA
SCHEMBL5743613 0.81 FFAR4 (0.51) PTGS1AKR1C3AKR1C2POLBFFAR4
6-Methoxy-2-Naphthylacetic Acid SCHEMBL9504307 0.81 AKR1C3 (0.97) PTGS1AKR1C3AKR1C2POLBLMNA
6-Methoxy-2-Naphthylacetic Acid SCHEMBL503709 0.81 PTGS1 (0.97) PTGS1AKR1C3AKR1C2POLBLMNA
6-Methoxy-2-Naphthylacetic Acid SCHEMBL9504293 0.81 AKR1C3 (0.97) PTGS1AKR1C3AKR1C2POLBLMNA

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
EP-2348315-B1 PREPARATION AND ITS USE OF DERIVATISATION REAGENT FOR DETECTING L-CARNITINE OR D-CARNITINE CHANGZHOU MULTIPLE DIMENSION INST OF INDUSTRY TECHNOLOGY CO LTD (CN) 2013-12-18 EP disclosed
EP-2348315-A1 PREPARATION AND ITS USE OF DERIVATISATION REAGENT FOR DETECTING L-CARNITINE OR D-CARNITINE Changzhou Multiple Dimension Institute Of Industry Technology Co., Ltd. (CN) 2011-07-27 EP disclosed