SCHEMBL9307411

SCHEMBL9307411

CC(C)(C)CC(C)(C)NCCCOc1ccc(CC(C(=O)O)N(C=O)OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 9/20 0.50
ITGA2B P08514 9/20 0.50
KDM4E B2RXH2 3/20 0.40
KMT2A Q03164 3/20 0.40
NPC1 O15118 2/20 0.40
MEN1 O00255 2/20 0.40
LMNA P02545 1/20 0.40
MITF O75030 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PPARG P37231 2/20 0.38
LTA4H P09960 3/20 0.38
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
PPARD Q03181 1/20 0.37
PPARA Q07869 1/20 0.37

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
SCHEMBL7393691 0.91 ITGB3 (0.60) ITGB3ITGA2BKDM4EKMT2ANPC1
SCHEMBL7294444 0.90 ITGB3 (0.49) ITGB3ITGA2BKDM4EKMT2ANPC1
SCHEMBL9156861 0.83 ITGB3 (0.42) ITGB3ITGA2BKDM4EKMT2ANPC1
SCHEMBL7391463 0.82 ITGB3 (0.44) ITGB3ITGA2BPPARGPPARDPPARA
SCHEMBL7291522 0.82 ITGB3 (0.44) ITGB3ITGA2BPPARGPPARDPPARA
SCHEMBL7417689 0.81 CA12 (0.48) ITGB3ITGA2BMAPT
SCHEMBL7431233 0.81 CA12 (0.48) ITGB3ITGA2BMAPT
SCHEMBL7421813 0.81 CA12 (0.48) ITGB3ITGA2BMAPT
SCHEMBL7422118 0.81 CA12 (0.48) ITGB3ITGA2BMAPT
SCHEMBL7386323 0.81 ITGB3 (0.43) ITGB3ITGA2BPPARGLTA4HPPARD

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