SCHEMBL8971843

SCHEMBL8971843

CC(CC(=O)OC(C)C)NC(=O)OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.53
TSHR P16473 1/20 0.53
CTSS P25774 4/20 0.52
CTSL P07711 3/20 0.52
CTSK P43235 5/20 0.51
CTRB1 P17538 2/20 0.50
ELANE P08246 2/20 0.50
CASP1 P29466 1/20 0.49
CTSB P07858 2/20 0.48
PRTN3 P24158 1/20 0.47

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
SCHEMBL8972716 0.89 ATM (0.56) ATMCTSSCTSLCTSKCTRB1
SCHEMBL6841182 0.89 ATM (0.56) ATMCTSSCTSLCTSKCTRB1
SCHEMBL2902518 0.86 ATM (0.53) ATMCTSSCTSLCTSKCTRB1
SCHEMBL5194569 0.85 ATM (0.58) ATMCTSSCTSLCTSKCTRB1
SCHEMBL265847 0.85 ATM (0.58) ATMCTSSCTSLCTSKCTRB1
SCHEMBL4184372 0.85 ATM (0.58) ATMCTSSCTSLCTSKCTRB1
SCHEMBL8971830 0.85 ELANE (0.55) ATMCTSSCTSLCTSKCTRB1
SCHEMBL8972112 0.84 SYK (0.58) ATMCTSSCTSLCTSKCTRB1
SCHEMBL12203687 0.84 SYK (0.58) ATMCTSSCTSLCTSKCTRB1
SCHEMBL4173427 0.83 ATM (0.56) ATMCTSSCTSLCTSKCTRB1

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-5518903-A HYDROLYSIS OF ESTER CHISSO CORPORATION (JP) 1996-05-21 US disclosed