SCHEMBL6217433

SCHEMBL6217433

CCOC(=O)C1CCCN(C(=O)/C=C/c2c(-c3ccccc3C(C)C)c[c]c(Cl)c2Cl)C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
ALDH1A1 P00352 7/20 0.52
MAPT P10636 1/20 0.52
GAA P10253 2/20 0.51
CYP1A2 P05177 1/20 0.49
CYP2C19 P33261 1/20 0.49
KDM4E B2RXH2 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
HPGD P15428 2/20 0.47
TSHR P16473 2/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
POLB P06746 1/20 0.44

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
SCHEMBL6220034 0.90 SMN1; SMN2 (0.56) HTTALDH1A1MAPTGAAKDM4E
SCHEMBL6218889 0.89 HTT (0.52) HTTALDH1A1MAPTGAACYP1A2
SCHEMBL6219538 0.88 ITGAL (0.49) HTTALDH1A1MAPTGAASMN1; SMN2
SCHEMBL6196634 0.87 HTT (0.54) HTTALDH1A1MAPTGAACYP1A2
SCHEMBL6199050 0.83 HTT (0.51) HTTALDH1A1MAPTGAACYP1A2
SCHEMBL6247601 0.81 HTT (0.46) HTTALDH1A1MAPTGAACYP1A2
SCHEMBL6220091 0.79 ITGAL (0.57) MAPTSMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL6219332 0.79 HTT (0.52) HTTALDH1A1MAPTGAACYP1A2
SCHEMBL6221157 0.78 ITGAL (0.44) ALDH1A1MAPTHPGDRAB9APOLB
SCHEMBL6222313 0.78 ALDH1A1 (0.63) HTTALDH1A1MAPTGAACYP1A2

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