SCHEMBL8239267

SCHEMBL8239267

O=C[C@@H](CO)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.54
CTSK P43235 4/20 0.52
CTSB P07858 2/20 0.52
PSMB1 P20618 1/20 0.52
PSMB5 P28074 1/20 0.52
PSMB2 P49721 1/20 0.52
ATM Q13315 1/20 0.50
TACR1 P25103 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL7298029 1.00 CTRB1 (0.54) CTRB1CTSKCTSBPSMB1PSMB5
SCHEMBL13173061 1.00 CTRB1 (0.54) CTRB1CTSKCTSBPSMB1PSMB5
SCHEMBL3337955 0.88 CTSB (0.66) CTRB1CTSBTACR1
SCHEMBL5275940 0.88 CTSK (0.59) CTRB1CTSKCTSBPSMB1PSMB5
SCHEMBL30825010 0.88 CTSK (0.59) CTRB1CTSKCTSBPSMB1PSMB5
SCHEMBL630290 0.88 CTSB (0.66) CTRB1CTSBTACR1
SCHEMBL5275932 0.88 CTSK (0.59) CTRB1CTSKCTSBPSMB1PSMB5
SCHEMBL3132344 0.88 CTSB (0.66) CTRB1CTSBTACR1
SCHEMBL27641158 0.87 CTRB1 (0.52) CTRB1CTSKCTSBPSMB1PSMB5
SCHEMBL4425695 0.87 CASP1 (0.55) CTRB1CTSKCTSBPSMB1PSMB5

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-2007089768-A2 4-ARYL-2-AMINO-PYRIMIDINES OR 4-ARYL-2-AMINOALKYL-PYRIMIDINES AS JAK-2 MODULATORS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM EXELIXIS, INC. (US) 2007-08-09 WO disclosed