SCHEMBL7183138

SCHEMBL7183138

CC(CCC(=O)NCCC(C(=O)c1nc2ccccc2o1)c1ccccc1)CNC(=O)C1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CTSS P25774 14/20 0.42
CTSL P07711 2/20 0.42
CTSB P07858 2/20 0.42
CTSK P43235 2/20 0.42
MAPT P10636 1/20 0.38
ELANE P08246 4/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL7048562 0.89 LMNA (0.48) LMNAHTTSMN1; SMN2CTSSCTSL
SCHEMBL7047998 0.85 LMNA (0.46) LMNAHTTSMN1; SMN2CTSSMAPT
SCHEMBL7042876 0.82 CTSS (0.43) LMNAHTTSMN1; SMN2CTSSCTSL
Hydrochloric Acid SCHEMBL7114471 0.81 CTSS (0.43) LMNAHTTSMN1; SMN2CTSSCTSL
SCHEMBL7047104 0.81 LMNA (0.45) LMNAHTTSMN1; SMN2CTSSCYP3A4
SCHEMBL6062139 0.81 CTSS (0.45) LMNAHTTSMN1; SMN2CTSSCTSL
SCHEMBL7183396 0.81 CTSS (0.44) LMNAHTTSMN1; SMN2CTSSCTSL
SCHEMBL7046461 0.80 ELANE (0.43) HTTELANE
SCHEMBL7112203 0.79 CTSS (0.56) LMNAHTTSMN1; SMN2CTSSCTSL
SCHEMBL7045283 0.78 CTSS (0.57) LMNAHTTSMN1; SMN2CTSSCTSL

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-6576630-B1 Alkanoyl substituted benzooxazoles or naphthooxazoles AXYS PHARMACEUTICALS, INC. 2003-06-10 US disclosed