SCHEMBL6318327

SCHEMBL6318327

CCOC(=O)C1CCN(C(=O)/C=C/c2c(-c3ccccc3Br)cc(Sc3cc(-c4ccccc4Br)c(/C=C/C(=O)N4CCC(C(=O)OCC)CC4)c(Cl)c3Cl)c(Cl)c2Cl)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.55
NPC1 O15118 4/20 0.55
RAB9A P51151 4/20 0.55
KDM4E B2RXH2 3/20 0.51
GAA P10253 2/20 0.48
POLB P06746 1/20 0.47
ALDH1A1 P00352 4/20 0.47
HPGD P15428 1/20 0.47
ENPP2 Q13822 1/20 0.44
ITGB2 P05107 2/20 0.44
ICAM1 P05362 2/20 0.44
ITGAL P20701 2/20 0.44
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
TSHR P16473 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL6196464 0.88 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AKDM4EGAA
SCHEMBL6315906 0.87 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9AKDM4EGAA
SCHEMBL6318331 0.81 ITGAL (0.62) SMN1; SMN2NPC1RAB9AKDM4EGAA
SCHEMBL6199028 0.80 ITGAL (0.56) SMN1; SMN2NPC1RAB9AKDM4EITGB2
SCHEMBL6196886 0.80 KDM4E (0.56) SMN1; SMN2NPC1RAB9AKDM4EGAA
SCHEMBL6317023 0.80 ITGAL (0.51) NPC1RAB9AKDM4EPOLBITGB2
SCHEMBL6201623 0.80 RAB9A (0.47) SMN1; SMN2NPC1RAB9AKDM4EGAA
SCHEMBL6196634 0.79 HTT (0.54) SMN1; SMN2NPC1RAB9AKDM4EGAA
SCHEMBL6196589 0.79 ITGB2 (0.53) SMN1; SMN2NPC1RAB9AKDM4EGAA
SCHEMBL6198997 0.77 RAB9A (0.47) SMN1; SMN2NPC1RAB9AKDM4EGAA

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6867203-B2 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES (US) 2005-03-15 US disclosed
US-20040116518-A1 Cell adhesion-inhibiting antiinflammatory and immune-suppressive compounds ABBOTT LABORATORIES 2004-06-17 US disclosed