SCHEMBL7345336

SCHEMBL7345336

COc1ccc(C[C@H](NC(=O)OCc2ccccc2)[PH](=O)OC)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.59
CTSL P07711 3/20 0.53
CTSS P25774 3/20 0.53
CTSK P43235 3/20 0.53
HDAC8 Q9BY41 1/20 0.52
TRPM8 Q7Z2W7 1/20 0.51
F2 P00734 1/20 0.49
CTRB1 P17538 2/20 0.49
CA1 P00915 1/20 0.48
CA2 P00918 1/20 0.48
ACHE P22303 1/20 0.48
ALDH1A1 P00352 3/20 0.48
ALOX15 P16050 1/20 0.48
CTSD P07339 1/20 0.48
CTSB P07858 1/20 0.46
ITGB3 P05106 4/20 0.46
ITGA2B P08514 4/20 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
SCHEMBL7352077 0.93 TRPM8 (0.57) ATMCTSLCTSSCTSKTRPM8
SCHEMBL8022777 0.92 LTA4H (0.54) ATMHDAC8TRPM8CTRB1ITGB3
SCHEMBL7353386 0.89 ATM (0.60) ATMCTSLCTSSCTSKHDAC8
SCHEMBL29137641 0.82 ATM (0.65) ATMCTSLCTSSCTSKHDAC8
SCHEMBL14370505 0.82 ATM (0.65) ATMCTSLCTSSCTSKHDAC8
SCHEMBL14370508 0.82 ATM (0.65) ATMCTSLCTSSCTSKHDAC8
SCHEMBL10886479 0.81 ATM (0.61) ATMCTSLCTSSCTSKHDAC8
SCHEMBL7044299 0.81 ATM (0.67) ATMCTSLCTSSCTSKHDAC8
SCHEMBL9716778 0.81 ATM (0.67) ATMCTSLCTSSCTSKHDAC8
SCHEMBL2406036 0.81 ALDH1A1 (0.65) ATMCTSLCTSSCTSKHDAC8

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
EP-0767794-B1 PHOSPHINIC ACID DERIVATIVES SCHERING CORP (US) 2000-02-02 EP disclosed
US-5476847-A Treating cardiovascular, gastrointestinal, urogenital disorders SCHERING CORPORATION (US) 1995-12-19 US disclosed