SCHEMBL7710685

SCHEMBL7710685

COc1ccc2cc(C)nc(Oc3ccc(C[C@](C)(Nc4c(OC(C)C)c(=O)c4=O)C(=O)O)cc3)c2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
KDM4E B2RXH2 4/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ATM Q13315 1/20 0.34
ICAM1 P05362 2/20 0.33
SELE P16581 2/20 0.33
MAPT P10636 2/20 0.33
RXFP1 Q9HBX9 1/20 0.33
HPGD P15428 2/20 0.32
HSD17B10 Q99714 2/20 0.32
POLB P06746 2/20 0.32
ACACB O00763 1/20 0.32
GPR35 Q9HC97 1/20 0.32
VCAM1 P19320 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
SLC2A1 P11166 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL7710683 0.80 ITGB1 (0.36) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL7710681 0.80 ITGB1 (0.36) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL7716187 0.80 MAPT (0.35) MEN1KMT2AMAPT
SCHEMBL7716184 0.80 MAPT (0.35) MEN1KMT2AMAPT
SCHEMBL7716183 0.78 MAPT (0.37) ALDH1A1KDM4EL3MBTL1MEN1KMT2A
SCHEMBL7259054 0.73 ITGB1 (0.33) MAPT
SCHEMBL7710690 0.71 ATM (0.39) ATMMAPTPOLBSLC2A1RAD52
SCHEMBL7710734 0.70 SLC2A1 (0.41) ALDH1A1KMT2AATMMAPTHSD17B10
SCHEMBL7263379 0.70 ITGB1 (0.43)
SCHEMBL7716447 0.68 ITGB1 (0.63) PPARG

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
US-6403608-B1 ANTIINFLAMMATORY AND IMMUNE DISORDERS CELLTECH R&D, LTD. (GB) 2002-06-11 US disclosed