SCHEMBL7535316

SCHEMBL7535316

CCCCN(C(=O)c1nc2ccccc2o1)C(=O)C1(NC(=O)c2ccc(C(F)(F)F)cc2)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 11/20 0.40
CTSB P07858 11/20 0.40
CTSS P25774 11/20 0.40
CTSK P43235 11/20 0.40
FAAH O00519 3/20 0.36
CES1 P23141 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
OPRK1 P41145 1/20 0.36
PPARG P37231 1/20 0.35
PTGS2 P35354 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
SRPK1 Q96SB4 1/20 0.34

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
SCHEMBL7533002 0.91 FAAH (0.38) CTSLCTSSCTSKFAAHCES1
SCHEMBL7535944 0.89 MAPT (0.42) CTSLCTSBCTSSCTSKFAAH
SCHEMBL7530295 0.88 FAAH (0.35) CTSLCTSBCTSSCTSKFAAH
SCHEMBL7529863 0.87 TACR2 (0.38) CTSLCTSBCTSSCTSKFAAH
SCHEMBL7532248 0.86 CTSL (0.47) CTSLCTSBCTSSCTSKKDM4E
SCHEMBL7536589 0.85 SMN1; SMN2 (0.41) CTSSFAAHCES1KDM4EALDH1A1
SCHEMBL7531988 0.85 SLC6A5 (0.42) KDM4EALDH1A1PPARG
SCHEMBL7531161 0.85 CTSL (0.47) CTSLCTSBCTSSCTSKFAAH
SCHEMBL7531423 0.84 CTSL (0.39) CTSLCTSBCTSSCTSKFAAH
SCHEMBL7530243 0.83 LMNA (0.40) CTSBCTSSCTSKFAAHCES1

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
WO-2002023784-A2 CYSTEINE PROTEASE INHIBITORS AXYS PHARMACEUTICALS, INC. (US) 2002-03-21 WO disclosed