SCHEMBL7710671

SCHEMBL7710671

COC(=O)[C@H](Cc1ccc(Oc2nc(Cl)cc3ccccc23)cc1)Nc1c(C(C)(C)C)c(=O)c1=O

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.40
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
ITGB1 P05556 5/20 0.37
ITGA4 P13612 5/20 0.37
HDAC1 Q13547 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
TACR3 P29371 1/20 0.35
PARP1 P09874 1/20 0.35
PARP3 Q9Y6F1 1/20 0.35
PPARG P37231 2/20 0.35
PPARD Q03181 2/20 0.35
PPARA Q07869 2/20 0.35
MAPT P10636 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDR P35968 1/20 0.34
APP P05067 1/20 0.34

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
SCHEMBL7710675 1.00 ELANE (0.40) ELANEMEN1KMT2AALDH1A1LMNA
SCHEMBL7710695 0.92 ITGB1 (0.45) ITGB1ITGA4APP
SCHEMBL7710699 0.92 ITGB1 (0.45) ITGB1ITGA4APP
SCHEMBL7716190 0.85 ITGB1 (0.54) ELANEMEN1KMT2AITGB1ITGA4
SCHEMBL7714199 0.83 ITGB1 (0.46) ELANEITGB1ITGA4PARP1PARP3
SCHEMBL7714162 0.83 ELANE (0.37) ELANEITGB1ITGA4TACR3PARP1
SCHEMBL7714195 0.83 ITGB1 (0.46) ELANEITGB1ITGA4PARP1PARP3
SCHEMBL7714158 0.83 ELANE (0.37) ELANEITGB1ITGA4TACR3PARP1
SCHEMBL7710677 0.79 KMT2A (0.34) KMT2AALDH1A1LMNAPPARGPPARA
SCHEMBL7710672 0.79 AKR1B1 (0.34) MEN1KMT2APPARGMAPTL3MBTL1

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