SCHEMBL7764189

SCHEMBL7764189

O=[C]c1cccc(-c2ccccc2)c1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 1/20 0.53
HNF4A P41235 1/20 0.53
ALDH1A1 P00352 2/20 0.45
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
BCL2L1 Q07817 1/20 0.45
BACE1 P56817 3/20 0.41
ESR2 Q92731 1/20 0.40
BCAT2 O15382 1/20 0.38
PTPN1 P18031 1/20 0.38
ALOX5 P09917 1/20 0.36
FFAR1 O14842 1/20 0.36
PLAU P00749 1/20 0.36
PLAT P00750 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
P2RX7 Q99572 1/20 0.36

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
SCHEMBL4508095 0.82 HDAC4 (0.45) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL57735 0.81 ALDH1A1 (0.42) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL932550 0.80 ESR2 (0.58) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL9162349 0.78 CA2 (0.38) ALDH1A1HSD17B10HPGD
SCHEMBL30605196 0.78 HDAC4 (0.65) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL60283 0.78 HDAC4 (0.65) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL1644568 0.78 ALDH1A1 (0.39) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL11393405 0.76 CYP2A6 (0.45) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL7573005 0.76 ALDH1A1 (0.45) HDAC4HDAC2HDAC8HDAC6HNF4A
SCHEMBL11390626 0.76 PDCD1 (0.48) HDAC4HDAC2HDAC8HDAC6HNF4A

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-1100484-A1 MACROPHAGE SCAVENGER RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2001-05-23 EP claimed
WO-2000003704-A1 MACROPHAGE SCAVENGER RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-01-27 WO claimed