SCHEMBL7086112

SCHEMBL7086112

O=C(O)C=CC(=O)OC(Cl)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 9/20 0.65
KDM4E B2RXH2 4/20 0.40
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
HDAC3 O15379 1/20 0.38
TNKS O95271 1/20 0.38
HDAC4 P56524 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
TNKS2 Q9H2K2 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
CYP3A4 P08684 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
SCHEMBL7086109 1.00 HCAR2 (0.65) HCAR2KDM4EMAPTALDH1A1HDAC3
SCHEMBL7089093 1.00 HCAR2 (0.65) HCAR2KDM4EMAPTALDH1A1HDAC3
SCHEMBL9860565 0.94 HCAR2 (0.56) HCAR2KDM4EMAPTALDH1A1LMNA
SCHEMBL9860571 0.94 HCAR2 (0.56) HCAR2KDM4EMAPTALDH1A1LMNA
SCHEMBL5176157 0.84 HCAR2 (0.50) HCAR2MAPTALDH1A1LMNATSHR
SCHEMBL5176162 0.84 HCAR2 (0.50) HCAR2MAPTALDH1A1LMNATSHR
SCHEMBL28803484 0.81 HCAR2 (0.69) HCAR2KDM4EMAPTALDH1A1HDAC3
SCHEMBL27534212 0.81 HCAR2 (0.69) HCAR2KDM4EMAPTALDH1A1HDAC3
SCHEMBL27545605 0.80 HCAR2 (0.50) HCAR2KDM4EMAPTALDH1A1HDAC3
SCHEMBL7083023 0.80 HCAR2 (0.50) HCAR2KDM4EMAPTALDH1A1HDAC3

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
EP-1331494-A1 COMPOSITION FOR OPTICAL MATERIAL, OPTICAL MATERIAL, AND PLASTIC LENS NOF CORPORATION (JP) 2003-07-30 EP disclosed