SCHEMBL27430964

SCHEMBL27430964

CC(=O)NC(CC(C)C)C(=O)NC(CC(C)C)C(=O)N[C@H]1CCCOC1OC(C)=O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 14/20 0.51
CAPNS1 P04632 4/20 0.51
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
REN P00797 1/20 0.36
VDR P11473 1/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35

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
SCHEMBL7513016 1.00 CAPN1 (0.51) CAPN1CAPNS1ALDH1A1SMN1; SMN2REN
SCHEMBL27428206 0.93 CAPN1 (0.57) CAPN1CAPNS1ALDH1A1
SCHEMBL7515309 0.93 CAPN1 (0.57) CAPN1CAPNS1ALDH1A1
SCHEMBL27428208 0.93 CAPN1 (0.57) CAPN1CAPNS1ALDH1A1
SCHEMBL7515987 0.80 CTSK (0.61) CTSLCTSBCTSSCTSK
SCHEMBL8810895 0.80 CAPN1 (0.55) CAPN1CAPNS1CTSK
SCHEMBL8808483 0.80 CAPN1 (0.51) CAPN1CAPNS1SMN1; SMN2CTSLCTSS
SCHEMBL8808493 0.80 CAPN1 (0.51) CAPN1CAPNS1SMN1; SMN2CTSLCTSS
SCHEMBL8812311 0.78 CAPN1 (0.51) CAPN1CAPNS1ALDH1A1CTSLCTSB
SCHEMBL8812325 0.78 CAPN1 (0.51) CAPN1CAPNS1ALDH1A1CTSLCTSB

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
CN-1106001-A Lactol derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-08-02 CN disclosed