SCHEMBL8971830

SCHEMBL8971830

CC(CC(=O)Oc1ccccc1)NC(=O)OCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.55
ATM Q13315 1/20 0.52
PRTN3 P24158 2/20 0.52
CTSS P25774 4/20 0.51
CTSL P07711 3/20 0.51
CASP1 P29466 2/20 0.51
CTSK P43235 4/20 0.50
CTRB1 P17538 2/20 0.49
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
CTSB P07858 2/20 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
SCHEMBL6841182 0.87 ATM (0.56) ELANEATMCTSSCTSLCASP1
SCHEMBL8972716 0.87 ATM (0.56) ELANEATMCTSSCTSLCASP1
SCHEMBL2902518 0.85 ATM (0.53) ELANEATMCTSSCTSLCASP1
SCHEMBL8971843 0.85 ATM (0.53) ELANEATMPRTN3CTSSCTSL
SCHEMBL5194569 0.84 ATM (0.58) ELANEATMCTSSCTSLCASP1
SCHEMBL4184372 0.84 ATM (0.58) ELANEATMCTSSCTSLCASP1
SCHEMBL265847 0.84 ATM (0.58) ELANEATMCTSSCTSLCASP1
SCHEMBL8971806 0.84 ACACB (0.46) NPC1RAB9A
SCHEMBL12203687 0.83 SYK (0.58) ELANEATMCTSSCTSLCASP1
SCHEMBL8972112 0.83 SYK (0.58) ELANEATMCTSSCTSLCASP1

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