SCHEMBL7183396

SCHEMBL7183396

CC(CCNC(=O)C1CCNCC1)CC(=O)NCCC(C(=O)c1nc2cc(Cl)ccc2o1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSS P25774 3/20 0.44
CTSL P07711 2/20 0.44
CTSB P07858 2/20 0.44
CTSK P43235 2/20 0.44
PTGES O14684 12/20 0.43
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.38
PTGS2 P35354 6/20 0.36
CASP3 P42574 1/20 0.35
FFAR2 O15552 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ALOX12 P18054 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
SCHEMBL7048562 0.91 LMNA (0.48) CTSSCTSLCTSBCTSKLMNA
SCHEMBL6062139 0.91 CTSS (0.45) CTSSCTSLCTSBCTSKPTGES
SCHEMBL7112203 0.90 CTSS (0.56) CTSSCTSLCTSBCTSKPTGES
SCHEMBL7045283 0.88 CTSS (0.57) CTSSCTSLCTSBCTSKLMNA
SCHEMBL6464575 0.87 LMNA (0.44) LMNASMN1; SMN2KMT2ACASP3FFAR2
SCHEMBL7046658 0.86 CTSL (0.39) CTSSCTSLCTSBCTSKLMNA
SCHEMBL7049752 0.81 KMT2A (0.43) LMNASMN1; SMN2KMT2ACASP3FFAR2
SCHEMBL7183138 0.81 LMNA (0.45) CTSSCTSLCTSBCTSKLMNA
SCHEMBL7049421 0.78 CTSL (0.44) CTSSCTSLCTSBCTSKPTGES
SCHEMBL7046158 0.78 LMNA (0.40) CTSSCTSLCTSBCTSKLMNA

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