SCHEMBL7862052

SCHEMBL7862052

O=C(NCc1ccccc1)Nc1cccc(C(=O)NCc2cccc(CC(C(=O)O)c3ccccc3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.52
LMNA P02545 2/20 0.52
ALDH1A1 P00352 2/20 0.50
HPGD P15428 1/20 0.50
HTT P42858 1/20 0.50
KDR P35968 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.48
SENP1 Q9P0U3 2/20 0.48
CASR P41180 1/20 0.48
RAB9A P51151 2/20 0.48
NPC1 O15118 1/20 0.48
MITF O75030 1/20 0.48
KMT2A Q03164 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
PPARG P37231 1/20 0.46

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
SCHEMBL7861967 0.89 NAMPT (0.54) MAPK1LMNAALDH1A1HPGDHTT
SCHEMBL7861969 0.83 MAPK1 (0.52) MAPK1LMNAALDH1A1HPGDHTT
SCHEMBL7864788 0.83 SIRT2 (0.44) MAPK1LMNAALDH1A1HPGDHTT
SCHEMBL7856448 0.81 PPARG (0.68) MAPK1LMNAALDH1A1HPGDHTT
SCHEMBL7372565 0.79 ITGB3 (0.62) MAPK1ALDH1A1KDRL3MBTL1RAB9A
SCHEMBL7864758 0.79 KMT2A (0.47) LMNAALDH1A1KMT2ASIRT2MAPT
SCHEMBL8440655 0.79 MAPK1 (0.55) MAPK1LMNAALDH1A1HPGDHTT
SCHEMBL7864272 0.78 NAMPT (0.58)
SCHEMBL7803055 0.78 KDR (0.58) MAPK1LMNAALDH1A1HPGDHTT
SCHEMBL7833496 0.77 ITGB3 (0.58) MAPK1LMNAALDH1A1HPGDHTT

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
EP-0889877-B1 META-SUBSTITUTED PHENYLENE DERIVATIVES AND THEIR USE AS ALPHAvBETA3 INTEGRIN ANTAGONISTS OR INHIBITORS SEARLE & CO (US) 2001-08-29 EP claimed