SCHEMBL9250277

SCHEMBL9250277

O=C(O)c1cccc2ccc(CBr)c(C(=O)O)c12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.51
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 3/20 0.41
NR4A1 P22736 1/20 0.41
NR4A2 P43354 1/20 0.41
NR4A3 Q92570 1/20 0.41
TSHR P16473 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
CDC25B P30305 1/20 0.40
FOLH1 Q04609 1/20 0.38
PTPN1 P18031 2/20 0.37
KEAP1 Q14145 1/20 0.37
CYP1A2 P05177 2/20 0.36
ALOX15 P16050 1/20 0.36
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GLA P06280 1/20 0.36
POLB P06746 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
SCHEMBL897605 0.85 HSD17B10 (0.53) HSD17B10KMT2AMEN1ALDH1A1KDM4E
SCHEMBL2880043 0.80 HSD17B10 (0.47) HSD17B10KMT2AMEN1ALDH1A1KDM4E
SCHEMBL8384722 0.79 FOLH1 (0.47) HSD17B10ALDH1A1KDM4ENR4A1NR4A2
SCHEMBL31401777 0.79 HSD17B10 (0.62) HSD17B10KMT2AMEN1ALDH1A1KDM4E
SCHEMBL30355326 0.79 HSD17B10 (0.62) HSD17B10KMT2AMEN1ALDH1A1KDM4E
SCHEMBL3683209 0.79 HSD17B10 (0.62) HSD17B10KMT2AMEN1ALDH1A1KDM4E
SCHEMBL28163598 0.79 BID (0.50) HSD17B10KMT2AMEN1KDM4EALOX15
SCHEMBL9062211 0.79 HSD17B10 (0.46) HSD17B10KMT2AMEN1ALDH1A1KDM4E
SCHEMBL28131469 0.78 HSD17B10 (0.56) HSD17B10KMT2AMEN1ALDH1A1KDM4E
SCHEMBL7184879 0.77 BID (0.58) HSD17B10KMT2AMEN1KDM4EALOX15

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-0666849-A4 ARYL AND HETEROARYLMETHOXYPHENYL INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS. ABBOTT LAB (US) 1995-12-13 EP disclosed
EP-0666849-A1 ARYL AND HETEROARYLMETHOXYPHENYL INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1995-08-16 EP disclosed
WO-1994010148-A1 ARYL AND HETEROARYLMETHOXYPHENYL INHIBITORS OF LEUKOTRIENE BIOSYNTHESIS ABBOTT LABORATORIES (US) 1994-05-11 WO disclosed