SCHEMBL7807968

SCHEMBL7807968

COC(=O)[C@@](C)(NC(=O)c1ccccc1)C(C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.45
SRC P12931 1/20 0.44
PRSS1 P07477 3/20 0.42
CTSG P08311 3/20 0.42
CTRB1 P17538 3/20 0.42
CMA1 P23946 3/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
CYP2C9 P11712 2/20 0.41
LMNA P02545 1/20 0.41
EPHX1 P07099 1/20 0.41
ELANE P08246 1/20 0.40
PTGS1 P23219 1/20 0.40
PTGS2 P35354 1/20 0.40
GPR139 Q6DWJ6 1/20 0.40
KCNN4 O15554 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL8511586 0.76 POLB (0.51) POLBSRCPRSS1CTSGCTRB1
SCHEMBL8511582 0.76 POLB (0.51) POLBSRCPRSS1CTSGCTRB1
SCHEMBL8511583 0.76 POLB (0.51) POLBSRCPRSS1CTSGCTRB1
SCHEMBL10438916 0.72 POLB (0.50) POLBSRCPRSS1CTSGCTRB1
SCHEMBL10788978 0.71 POLB (0.53) POLBSRCPRSS1CTSGCTRB1
SCHEMBL31385570 0.71 PRSS1 (0.55) SRCPRSS1CTSGCTRB1CMA1
SCHEMBL28569677 0.71 KCNN4 (0.43) SRCCTRB1ELANEPTGS1PTGS2
SCHEMBL28676616 0.71 KMT2A (0.43) SRCPRSS1CTSGCTRB1CMA1
SCHEMBL24571837 0.71 POLB (0.56) POLBPRSS1CTSGCTRB1CMA1
SCHEMBL13994623 0.71 POLB (0.56) POLBPRSS1CTSGCTRB1CMA1

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
WO-2010148488-A1 CATHEPSIN CYSTEINE PROTEASE INHIBITORS FOR THE TREATMENT OF VARIOUS DISEASES MERCK FROSST CANADA LTD. (CA) 2010-12-29 WO disclosed