SCHEMBL7710683

SCHEMBL7710683

COC(=O)C(Cc1ccc(Oc2nc(C)cc3ccc(OC)cc23)cc1)Nc1c(OC(C)C)c(=O)c1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.36
ITGA4 P13612 2/20 0.36
TAS1R3 Q7RTX0 2/20 0.35
TAS1R1 Q7RTX1 2/20 0.35
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
ICAM1 P05362 2/20 0.34
SELE P16581 2/20 0.34
ELANE P08246 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
PTGDR Q13258 1/20 0.33
ACACB O00763 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
VCAM1 P19320 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 1/20 0.32
PRNP P04156 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
SCHEMBL7710681 1.00 ITGB1 (0.36) ITGB1ITGA4TAS1R3TAS1R1ALDH1A1
SCHEMBL7263379 0.81 ITGB1 (0.43) ITGB1ITGA4
SCHEMBL7710685 0.80 ALDH1A1 (0.34) ALDH1A1KDM4EMAPTRXFP1ICAM1
SCHEMBL7710690 0.80 ATM (0.39) ITGB1ITGA4MAPTPTGDRPOLB
SCHEMBL7716175 0.79 P2RX3 (0.36) ITGB1ITGA4MAPTELANEMEN1
SCHEMBL7716447 0.78 ITGB1 (0.63) ITGB1ITGA4PTGDR
SCHEMBL7716179 0.77 ELANE (0.40) ITGB1ITGA4ALDH1A1KDM4EMAPT
SCHEMBL7716169 0.77 ELANE (0.40) ITGB1ITGA4ALDH1A1KDM4EMAPT
SCHEMBL7716453 0.76 ITGB1 (0.43) ITGB1ITGA4PTGDRKMT2A
SCHEMBL7716445 0.76 ITGB1 (0.43) ITGB1ITGA4PTGDRKMT2A

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