SCHEMBL6570043

SCHEMBL6570043

CCOC(=O)C1CCN(c2cccc(Sc3ccc(/C=C/C(=O)O)c(Cl)c3Cl)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ITGB2 P05107 5/20 0.45
ICAM1 P05362 5/20 0.45
ITGAL P20701 5/20 0.45
LGMN Q99538 2/20 0.43
MAPT P10636 3/20 0.42
ALDH1A1 P00352 5/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
PDK2 Q15119 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 2/20 0.41
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL6317517 1.00 ITGB2 (0.45) ITGB2ICAM1ITGALLGMNMAPT
SCHEMBL6568425 0.86 ITGB2 (0.57) ITGB2ICAM1ITGALLGMNSMN1; SMN2
SCHEMBL6317504 0.82 LGMN (0.44) LGMNMAPTALDH1A1MEN1KMT2A
SCHEMBL6567825 0.81 ITGAL (0.54) ITGB2ICAM1ITGALALDH1A1SMN1; SMN2
SCHEMBL6315913 0.81 ITGAL (0.54) ITGB2ICAM1ITGALALDH1A1SMN1; SMN2
SCHEMBL6317378 0.79 ITGAL (0.59) ITGB2ICAM1ITGALTDP1
SCHEMBL6568429 0.79 ITGAL (0.59) ITGB2ICAM1ITGALTDP1
SCHEMBL6317511 0.79 LGMN (0.43) LGMNMAPTALDH1A1MEN1KMT2A
SCHEMBL6308954 0.78 ITGAL (0.63) ITGB2ICAM1ITGAL
SCHEMBL6568662 0.78 ITGAL (0.63) ITGB2ICAM1ITGAL

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-1481968-A2 Cell adhesion-inhibiting anti-inflammatory and immune-suppressive compounds Abbott Laboratories (US) 2004-12-01 EP disclosed