SCHEMBL24587253

SCHEMBL24587253

O=C(OCC(COC(=O)[C@@H]1CCCN1)OC(=O)[C@@H]1CCCN1)C1CCCN1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 2/20 0.40
PRCP P42785 2/20 0.38
DPP7 Q9UHL4 2/20 0.37
DPP4 P27487 3/20 0.36
DPP8 Q6V1X1 2/20 0.36
DPP9 Q86TI2 2/20 0.36
FAP Q12884 1/20 0.36
NOS2 P35228 2/20 0.35
NOS3 P29474 1/20 0.35
NOS1 P29475 1/20 0.35
HTR2C P28335 2/20 0.34
CTSC P53634 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
IDO1 P14902 1/20 0.34
HTR2B P41595 1/20 0.33

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
SCHEMBL27114716 1.00 TLR2 (0.40) TLR2PRCPDPP7DPP4DPP8
SCHEMBL8840314 0.84 PRCP (0.39) TLR2PRCPDPP7DPP4DPP8
SCHEMBL15323666 0.83 TLR2 (0.36) TLR2PRCPDPP7DPP4DPP8
SCHEMBL24586243 0.83 TLR2 (0.36) TLR2PRCPDPP7DPP4DPP8
SCHEMBL3714016 0.81 RAB9A (0.39) TLR2PRCPDPP7DPP4DPP8
SCHEMBL10363588 0.81 RAB9A (0.39) TLR2PRCPDPP7DPP4DPP8
SCHEMBL17732291 0.80 PRCP (0.38) TLR2PRCPDPP7DPP4DPP8
SCHEMBL24586238 0.80 DPP4 (0.36) TLR2PRCPDPP7DPP4DPP8
SCHEMBL25397085 0.79 ADRB2 (0.36) TLR2PRCPDPP7DPP4DPP8
SCHEMBL1263537 0.78 TLR2 (0.35) TLR2PRCPDPP7DPP4DPP8

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-2022140458-A1 PENETRATING CRYOPROTECTION AGENTS AND METHODS OF MAKING AND USING SAME THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-06-30 WO disclosed