SCHEMBL4429650

SCHEMBL4429650

CCCC(NC(=S)NC(=O)OCC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 1/20 0.38
NOD1 Q9Y239 3/20 0.36
GAA P10253 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
MME P08473 1/20 0.35
FOLH1 Q04609 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.34
SIRT1 Q96EB6 1/20 0.34
KMT2A Q03164 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 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
SCHEMBL1858630 0.83 FPR2 (0.43) FPR2NOD1MMEFOLH1SIRT2
Hydrochloric Acid SCHEMBL27527505 0.82 FPR2 (0.42) FPR2NOD1MMEFOLH1SIRT2
SCHEMBL12291691 0.81 FPR2 (0.46) FPR2NOD1GAAPOLBMAPT
SCHEMBL27754766 0.80 FPR2 (0.41) FPR2NOD1MMEFOLH1SIRT2
SCHEMBL9634245 0.76 MAPT (0.40) GAAMAPTALDH1A1LMNAKMT2A
SCHEMBL9832048 0.73 NOD1 (0.49) NOD1MMESIRT2SIRT1CTSS
SCHEMBL9832042 0.73 NOD1 (0.49) NOD1MMESIRT2SIRT1CTSS
SCHEMBL10146967 0.73 FPR2 (0.49) FPR2NOD1MAPTALDH1A1MME
SCHEMBL6269749 0.72 NOD1 (0.51) NOD1MAPTFOLH1SIRT2SIRT1
SCHEMBL5455357 0.72 ALDH1A1 (0.48) GAAMAPTALDH1A1LMNAKMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125739-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2009-12-02 EP disclosed
WO-2008079371-A1 MODULATORS OF C3A RECEPTOR AND METHODS OF USE THEREOF ENCYSIVE PHARMACEUTICALS, INC. (US) 2008-07-03 WO disclosed