SCHEMBL6220091

SCHEMBL6220091

CC(C)c1ccccc1-c1c[c]c(Cl)c(Cl)c1/C=C/C(=O)N1CCC(C(=O)O)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGAL P20701 12/20 0.57
ITGB2 P05107 10/20 0.57
ICAM1 P05362 10/20 0.57
RAB9A P51151 3/20 0.41
NPC1 O15118 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
APAF1 O14727 1/20 0.38
NSD2 O96028 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
CASP3 P42574 1/20 0.38
RECQL P46063 1/20 0.38
GALK1 P51570 1/20 0.38
KMT2A Q03164 1/20 0.38
HKDC1 Q2TB90 1/20 0.38
SENP8 Q96LD8 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
SAE1 Q9UBE0 1/20 0.38

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
SCHEMBL6219538 0.89 ITGAL (0.49) ITGALITGB2ICAM1RAB9ANPC1
SCHEMBL6220034 0.87 SMN1; SMN2 (0.56) ITGALITGB2ICAM1RAB9ANPC1
SCHEMBL6221157 0.87 ITGAL (0.44) ITGALITGB2ICAM1RAB9APOLB
SCHEMBL6220626 0.86 ITGAL (0.51) ITGALITGB2ICAM1RAB9ANPC1
SCHEMBL6219181 0.84 ITGAL (0.48) ITGALITGB2ICAM1RAB9ANPC1
SCHEMBL6198410 0.84 ITGAL (0.66) ITGALITGB2ICAM1
SCHEMBL6197837 0.79 ITGAL (0.57) ITGALITGB2ICAM1RAB9ANPC1
SCHEMBL6217433 0.79 HTT (0.56) RAB9ANPC1SMN1; SMN2POLBMAPT
SCHEMBL6220775 0.79 TDP1 (0.40) ITGALITGB2ICAM1MAPTKMT2A
SCHEMBL6220724 0.76 ITGAL (0.49) ITGALITGB2ICAM1RAB9ANPC1

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 claimed