SCHEMBL21367515

SCHEMBL21367515

CCCCCCCCNC(=O)[C@@H](N)CSSC[C@H](N)C(=O)NCC

nearest known ligand 0.63

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 2/20 0.63
RRM1 P23921 1/20 0.62
GNAI3 P08754 1/20 0.59
GNAO1 P09471 1/20 0.59
GNAI1 P63096 1/20 0.59
S1PR1 P21453 6/20 0.55
S1PR3 Q99500 6/20 0.55
S1PR2 O95136 5/20 0.55
S1PR5 Q9H228 4/20 0.55
NOD1 Q9Y239 1/20 0.49
EPHX1 P07099 3/20 0.47
TLR2 O60603 6/20 0.46

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
SCHEMBL22922239 0.95 DPP7 (0.69) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL23007634 0.95 DPP7 (0.69) DPP7RRM1GNAI3GNAO1GNAI1
Bromide SCHEMBL20542993 0.93 DPP7 (0.67) DPP7RRM1GNAI3GNAO1GNAI1
Bromide SCHEMBL20542996 0.93 DPP7 (0.67) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL18807923 0.89 DPP7 (0.61) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL13855557 0.89 DPP7 (0.61) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL18807925 0.86 TLR2 (0.61) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL23007762 0.86 RRM1 (0.66) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL23007872 0.83 DPP7 (0.58) DPP7RRM1GNAI3GNAO1GNAI1
SCHEMBL11111978 0.82 DPP7 (0.65) DPP7RRM1GNAI3GNAO1GNAI1

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-2019178166-A1 AMPHIPHILIC THIOL COMPOUNDS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2019-09-19 WO disclosed