SCHEMBL7906165

SCHEMBL7906165

CCOC(=O)[C@H](Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1)NC(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.52
ITGB1 P05556 1/20 0.52
ITGAV P06756 1/20 0.52
ITGA2B P08514 1/20 0.52
ITGB5 P18084 1/20 0.52
MAPT P10636 9/20 0.50
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 5/20 0.47
GAA P10253 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
ALOX12 P18054 1/20 0.47
NPSR1 Q6W5P4 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 3/20 0.45
P2RX3 P56373 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
CTSL P07711 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL7988829 0.87 ITGB3 (0.59) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL29780735 0.84 ALDH1A1 (0.64) ITGB3ITGA2BMAPTALDH1A1KDM4E
SCHEMBL7742078 0.83 HDAC8 (0.48) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL5147726 0.83 ITGB1 (0.44) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL13913372 0.82 ITGB1 (0.59) ITGB1
SCHEMBL4316611 0.82 ITGB1 (0.59) ITGB1
SCHEMBL7375970 0.81 ITGB3 (0.60) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7416608 0.81 ITGB3 (0.60) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL7375972 0.79 ITGB3 (0.58) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL20045974 0.79 PPARG (0.53) ITGB3ITGA2BMAPTALDH1A1KDM4E

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
US-6197794-B1 ANTIINFLAMAMTORY AGENTS; IMMUNOLOGY DISEASES CELLTECH THERAPEUTICS LIMITED (GB) 2001-03-06 US disclosed