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SCHEMBL2434016

SCHEMBL2434016

CCOC(=O)C1CCC(OC(OC(CC)C(=O)Cc2cc(Cl)c(NC(=O)c3cn(C)c4ccccc34)cc2F)N2CCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ITGB1 P05556 13/20 0.56
▸ ITGA4 P13612 13/20 0.56
▸ MAPT P10636 1/20 0.40
▸ KMT2A Q03164 3/20 0.39
▸ KDM1A O60341 1/20 0.37
▸ ATM Q13315 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ACKR3 P25106 1/20 0.35

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
SCHEMBL2433466 1.00 ITGB1 (0.56) ITGB1ITGA4MAPTKMT2AKDM1A
SCHEMBL2437226 0.94 ITGB1 (0.64) ITGB1ITGA4KMT2AKDM1AMEN1
SCHEMBL2431996 0.85 ITGB1 (0.62) ITGB1ITGA4KMT2AKDM1AMEN1
SCHEMBL2430235 0.84 ITGB1 (0.58) ITGB1ITGA4KMT2AKDM1AMEN1
SCHEMBL6764792 0.84 ITGB1 (0.58) ITGB1ITGA4KMT2AKDM1AMEN1
SCHEMBL2433300 0.83 ITGB1 (0.71) ITGB1ITGA4KMT2AKDM1AMEN1
SCHEMBL2432749 0.82 ITGB1 (0.66) ITGB1ITGA4KMT2AKDM1AMEN1
SCHEMBL70994 0.82 ITGB1 (0.56) ITGB1ITGA4MAPTKMT2AKDM1A
SCHEMBL2435836 0.80 ITGB1 (0.58) ITGB1ITGA4MAPTKMT2AKDM1A
SCHEMBL2435009 0.80 ITGB1 (0.58) ITGB1ITGA4MAPTKMT2AKDM1A

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-1346982-B1 VLA-4 INHIBITORS DAIICHI SEIYAKU CO (JP) 2011-09-14 — — EP disclosed