SCHEMBL7949465

SCHEMBL7949465

CC[C@@H]1CC1(CNS(=O)(=O)C1CC1)NC(=O)[C@@H]1CC(Oc2cc(-c3nc(C(C)C)cs3)nc3c(C)c(OC)ccc23)CN1C(=O)[C@@H](Nc1cccc(C(F)(F)F)c1)C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 1/20 0.44
CTSB P07858 1/20 0.41
PPP3CB P16298 1/20 0.41
ABCC1 P33527 1/20 0.39
ABCC2 Q92887 1/20 0.39
ABCG2 Q9UNQ0 1/20 0.39
CYP3A4 P08684 2/20 0.36
ELANE P08246 1/20 0.33
KCNH2 Q12809 1/20 0.33
ADRB3 P13945 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
MEN1 O00255 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL7946976 0.91 CTSS (0.47) CTSSCTSBPPP3CBABCC1ABCC2
SCHEMBL7944728 0.91 CTSS (0.47) CTSSCTSBPPP3CBABCC1ABCC2
SCHEMBL10070447 0.86 ABCC1 (0.41) CTSSCTSBPPP3CBABCC1ABCC2
SCHEMBL7936960 0.86 ABCC1 (0.41) CTSSCTSBPPP3CBABCC1ABCC2
SCHEMBL7943699 0.86 ABCC1 (0.41) CTSSCTSBPPP3CBABCC1ABCC2
SCHEMBL7936765 0.85 CTSS (0.47) CTSSCTSBPPP3CBABCC1ABCC2
SCHEMBL13336835 0.84 CTSS (0.48) CTSSCTSBPPP3CBABCC1ABCC2
SCHEMBL1688333 0.83 CTSS (0.46) CTSSCTSBPPP3CBABCC1ABCC2
SCHEMBL10069870 0.83 CTSS (0.49) CTSSCTSBPPP3CBABCC1ABCC2
SCHEMBL1688336 0.83 CTSB (0.46) CTSSCTSBPPP3CBABCC1ABCC2

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-2010045266-A1 THERAPEUTIC ANTIVIRAL PEPTIDES INTERMUNE, INC. (US) 2010-04-22 WO disclosed