SCHEMBL6930173

SCHEMBL6930173

COc1c(C(=O)O)ccc(Br)c1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 2/20 0.51
TDP1 Q9NUW8 2/20 0.47
MAPT P10636 1/20 0.47
ALDH1A1 P00352 4/20 0.46
KDM4E B2RXH2 3/20 0.46
LCK P06239 1/20 0.46
FYN P06241 1/20 0.46
TPMT P51580 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA14 Q9ULX7 1/20 0.41
GPR35 Q9HC97 1/20 0.40
POLB P06746 2/20 0.40
HPGD P15428 2/20 0.40
PTPN1 P18031 1/20 0.38
CDC25B P30305 1/20 0.38
AKR1C3 P42330 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
SCHEMBL24165077 0.85 HSD17B10 (0.51) HSD17B10TDP1MAPTALDH1A1KDM4E
SCHEMBL6215179 0.85 HSD17B10 (0.55) HSD17B10TDP1MAPTALDH1A1KDM4E
SCHEMBL421547 0.81 MAPT (0.51) HSD17B10TDP1MAPTALDH1A1KDM4E
SCHEMBL22245019 0.81 TDP1 (0.56) HSD17B10TDP1MAPTALDH1A1KDM4E
SCHEMBL1987207 0.81 HSD17B10 (0.51) HSD17B10TDP1MAPTALDH1A1KDM4E
SCHEMBL30316357 0.80 HSD17B10 (0.50) HSD17B10TDP1MAPTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL422457 0.80 MAPT (0.50) HSD17B10TDP1MAPTALDH1A1KDM4E
SCHEMBL1505827 0.80 TDP1 (0.61) HSD17B10TDP1MAPTALDH1A1KDM4E
SCHEMBL7127616 0.79 HSD17B10 (0.53) HSD17B10TDP1MAPTALDH1A1KDM4E
SCHEMBL4995728 0.79 TDP1 (0.49) HSD17B10TDP1MAPTALDH1A1KDM4E

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-1100486-A4 MACROPHAGE SCAVENGER RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2003-01-15 EP disclosed
EP-1100486-A1 MACROPHAGE SCAVENGER RECEPTOR ANTAGONISTS SmithKline Beecham Corporation (US) 2001-05-23 EP disclosed
WO-2000006147-A1 MACROPHAGE SCAVENGER RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2000-02-10 WO disclosed