SCHEMBL13906823

SCHEMBL13906823

CC(=O)/C=C(/C)C(=O)CCc1ccc(C)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLAAT3 P53816 2/20 0.48
▸ PLAAT5 Q96KN8 2/20 0.48
▸ PLAAT2 Q9NWW9 2/20 0.48
▸ PLAAT4 Q9UL19 2/20 0.48
▸ FFAR1 O14842 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ SLC5A1 P13866 1/20 0.44
▸ SLC5A2 P31639 1/20 0.44
▸ ALDH1A1 P00352 4/20 0.42
▸ THRA P10827 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP2A6 P11509 1/20 0.38
▸ TAAR1 Q96RJ0 1/20 0.38
▸ CTBP2 P56545 1/20 0.38
▸ P2RX7 Q99572 1/20 0.38

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
SCHEMBL1681600 0.80 PLAAT3 (0.54) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL363773 0.75 ALDH1A1 (0.65) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL7338189 0.73 TDP1 (0.69) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL9547922 0.73 CES2 (0.56) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL7504081 0.72 CTBP2 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL7504074 0.72 CTBP2 (0.53) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL169770 0.71 FFAR1 (0.79) FFAR1L3MBTL1TDP1ALDH1A1THRA
SCHEMBL6393031 0.71 FFAR1 (0.56) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL24653097 0.71 L3MBTL1 (0.51) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1
SCHEMBL10247190 0.71 L3MBTL1 (0.61) PLAAT3PLAAT5PLAAT2PLAAT4FFAR1

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-2009031040-A2 COMPOUNDS WITH ANTI-CANCER ACTIVITY CANBAS CO., LTD. (JP) 2009-03-12 — — WO disclosed
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