SCHEMBL6813240

SCHEMBL6813240

C=C(C(=O)N1CCCC1C(=O)O)c1cc[c]c(C(F)(F)F)c1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.37
ALOX12 P18054 1/20 0.37
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CA2 P00918 1/20 0.34
DGAT1 O75907 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA5 P08648 1/20 0.34
ITGA4 P13612 1/20 0.34
ACE P12821 3/20 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
SCHEMBL6813244 0.75 HRH3 (0.38) KMT2ATHRBALOX12ALDH1A1SMN1; SMN2
SCHEMBL7064158 0.70 KDM4E (0.36) KMT2AALDH1A1CA2
SCHEMBL6310933 0.70 ITGAL (0.51) SMN1; SMN2
SCHEMBL3931067 0.62 ACE (0.49) ACE
SCHEMBL109013 0.62 ACE (0.49) ACE
SCHEMBL5013232 0.62 ACE (0.49) ACE
SCHEMBL8552264 0.61 ALDH1A1 (0.57) KMT2ATHRBALOX12ALDH1A1SMN1; SMN2
SCHEMBL3148908 0.61 ALDH1A1 (0.57) KMT2ATHRBALOX12ALDH1A1SMN1; SMN2
SCHEMBL1681427 0.61 LMNA (0.58) ACE
SCHEMBL7380987 0.61 LMNA (0.58) ACE

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-1165505-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2004-09-08 EP disclosed