SCHEMBL9282010

SCHEMBL9282010

CC(C(=O)O)C(CC(=O)O)C1CCN(C(=O)CN2CCN(c3ccncc3)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
MAPT P10636 3/20 0.46
ITGB3 P05106 8/20 0.45
ITGA2B P08514 8/20 0.45
PKM P14618 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
KDM4E B2RXH2 2/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7401011 0.83 ALDH1A1 (0.41) ALDH1A1MAPTITGB3ITGA2BPKM
SCHEMBL9282013 0.81 ALDH1A1 (0.47) ALDH1A1MAPTITGB3ITGA2BPKM
SCHEMBL7393626 0.77 ITGB3 (0.57) ALDH1A1MAPTITGB3ITGA2BPKM
SCHEMBL7400434 0.77 ALDH1A1 (0.58) ALDH1A1MAPTITGB3ITGA2BPKM
Hydrochloric Acid SCHEMBL27457453 0.77 ALDH1A1 (0.49) ALDH1A1MAPTITGB3ITGA2BPKM
SCHEMBL7402405 0.76 ALDH1A1 (0.53) ALDH1A1MAPTITGB3ITGA2BKDM4E
SCHEMBL7402217 0.75 ITGB3 (0.66) ALDH1A1MAPTITGB3ITGA2BKDM4E
SCHEMBL7400122 0.74 KMT2A (0.51) ALDH1A1MAPTPKMMEN1KMT2A
SCHEMBL7401012 0.73 ALDH1A1 (0.41) ALDH1A1MAPTITGB3ITGA2BPKM
SCHEMBL7399572 0.72 MAPT (0.46) ALDH1A1MAPTITGB3ITGA2BPKM

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-5563141-A INHIBIT CELL ADHESION FOR EXAMPLE, PLATELET AGGRE GATION ZENECA LIMITED (GB) 1996-10-08 US disclosed