SCHEMBL6198216

SCHEMBL6198216

C=C(C(=O)OC)c1ccc(Sc2cccc(N3CCOCC3)c2)c(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 1/20 0.39
AKR1C3 P42330 1/20 0.39
MAPT P10636 4/20 0.38
PKM P14618 1/20 0.38
ALOX15 P16050 1/20 0.38
PRKDC P78527 2/20 0.38
KDM1A O60341 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
ITGB2 P05107 2/20 0.37
ICAM1 P05362 2/20 0.37
ITGAL P20701 2/20 0.37
FGFR3 P22607 1/20 0.37
P2RX7 Q99572 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
POLB P06746 1/20 0.36
PLOD2 O00469 1/20 0.36
PLOD3 O60568 1/20 0.36
PLOD1 Q02809 1/20 0.36
NPC1 O15118 2/20 0.36

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
SCHEMBL6200064 0.88 KMO (0.44) KMOAKR1C3MAPTPRKDCKDM1A
SCHEMBL6197601 0.81 ITGAL (0.44) KMOAKR1C3MAPTITGB2ICAM1
SCHEMBL6201628 0.80 LGMN (0.47) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL6311315 0.79 ITGAL (0.42) KMOAKR1C3ITGB2ICAM1ITGAL
SCHEMBL6195506 0.78 PNP (0.32) MAPTPOLBNPC1RAB9AKDM4E
SCHEMBL6318620 0.76 ITGAL (0.43) AKR1C3ITGB2ICAM1ITGALMEN1
SCHEMBL6317609 0.75 ITGAL (0.43) AKR1C3MAPTITGB2ICAM1ITGAL
SCHEMBL6318224 0.75 NOTUM (0.42) AKR1C3MAPTITGB2ICAM1ITGAL
SCHEMBL6917200 0.73 ITGAL (0.42) ITGB2ICAM1ITGALMEN1KMT2A
SCHEMBL6530924 0.73 THRB (0.43) ITGB2ICAM1ITGALPOLBNPC1

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-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP disclosed