SCHEMBL9306283

SCHEMBL9306283

COC(=O)C(Cc1ccccc1OCCCCN1CC(C)NC(C)C1)NC(=O)OCc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 6/20 0.49
ITGA2B P08514 6/20 0.49
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
ALDH1A1 P00352 4/20 0.42
CYP3A4 P08684 3/20 0.42
TSHR P16473 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
ALOX15 P16050 1/20 0.41
ITGAV P06756 1/20 0.41
KYNU Q16719 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CTSK P43235 1/20 0.41
CTSL P07711 1/20 0.40

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
SCHEMBL9305772 0.94 ITGB3 (0.56) ITGB3ITGA2BMAPTLMNAITGAV
SCHEMBL8668133 0.81 SIRT2 (0.52) ITGB3ITGA2BMAPTLMNAALDH1A1
SCHEMBL7283088 0.78 ITGB3 (0.74) ITGB3ITGA2BLMNAALDH1A1ITGAV
SCHEMBL8668099 0.77 MEN1 (0.54) MAPTLMNAALDH1A1CYP3A4TSHR
SCHEMBL30070644 0.71 LMNA (0.60) MAPTLMNAALDH1A1ALOX15CTSK
SCHEMBL30825625 0.71 ALDH1A1 (0.58) MAPTLMNAALDH1A1CYP3A4TSHR
SCHEMBL8674043 0.71 ALDH1A1 (0.58) MAPTLMNAALDH1A1CYP3A4TSHR
SCHEMBL7151822 0.70 ALDH1A1 (0.74) MAPTALDH1A1CYP3A4TSHRMEN1
SCHEMBL329686 0.70 ALDH1A1 (0.74) MAPTALDH1A1CYP3A4TSHRMEN1
SCHEMBL5561531 0.70 ALDH1A1 (0.60) MAPTALDH1A1CYP3A4TSHRMEN1

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-5294616-A Anticoagulants, inhibition of fibrinogen binding to blood platelets MERCK & CO., INC. (US) 1994-03-15 US disclosed