SCHEMBL6180128

SCHEMBL6180128

CCCC(C)(NC(=O)Cc1ccc(NC(=O)Nc2ccccc2C)cc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 15/20 0.56
ITGA4 P13612 15/20 0.56
HPGD P15428 1/20 0.51
MAPT P10636 2/20 0.49
RAB9A P51151 2/20 0.49
MEN1 O00255 1/20 0.49
HTT P42858 1/20 0.49
KMT2A Q03164 1/20 0.49
RORC P51449 1/20 0.48
GHSR Q92847 1/20 0.48
NPC1 O15118 1/20 0.46

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
SCHEMBL6178527 0.87 ITGB1 (0.51) ITGB1ITGA4HPGDMAPTRAB9A
SCHEMBL17477398 0.81 POLB (0.48) HPGDMEN1KMT2A
SCHEMBL3485567 0.78 ITGB1 (0.67) ITGB1ITGA4HPGDMAPTRAB9A
SCHEMBL29612679 0.78 ITGB1 (0.67) ITGB1ITGA4HPGDMAPTRAB9A
SCHEMBL8236504 0.77 ITGB1 (0.56) ITGB1ITGA4HPGDMAPTRAB9A
SCHEMBL18472821 0.76 ITGB1 (0.58) ITGB1ITGA4HPGDMAPTRAB9A
SCHEMBL8231040 0.76 ITGB1 (0.61) ITGB1ITGA4HPGDMAPTRAB9A
SCHEMBL14561170 0.76 RAB9A (0.67) ITGB1ITGA4MAPTRAB9AMEN1
SCHEMBL5700801 0.76 ITGB1 (0.67) ITGB1ITGA4HPGDMAPTRAB9A
SCHEMBL20808405 0.75 ITGB1 (0.59) ITGB1ITGA4HPGDMAPTRAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1091943-B1 NON-PEPTIDYL INHIBITORS OF VLA-4 DEPENDENT CELL BINDING USEFUL IN TREATING INFLAMMATORY, AUTOIMMUNE, AND RESPIRATORY DISEASES PFIZER PROD INC (US) 2005-11-30 EP disclosed
US-6355662-B1 PEPTIDE AND NONPEPTIDES AUTOIMMUNE DISEASES, ANTIINFLAMMATORY AGENTS PFIZER INC 2002-03-12 US disclosed
US-6306887-B1 AROMATIC UREAS, CARBAMATES AND TRIAMINONITRILES AND HETEROCYCLIC COMPOUNDS PFIZER INC 2001-10-23 US disclosed