SCHEMBL21722104

SCHEMBL21722104

CCC(NC(CCCNC(=N)N)C(=O)O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
C3AR1 Q16581 3/20 0.46
EPHX2 P34913 2/20 0.46
KDM4A O75164 1/20 0.40
NAAA Q02083 2/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TLR2 O60603 1/20 0.38
MME P08473 1/20 0.38
RPS6KB1 P23443 1/20 0.38
NPY1R P25929 1/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37

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
SCHEMBL1660342 0.90 C3AR1 (0.46) C3AR1EPHX2TLR2RPS6KB1
SCHEMBL1660547 0.90 C3AR1 (0.46) C3AR1EPHX2TLR2RPS6KB1
SCHEMBL11125240 0.85 C3AR1 (0.48) C3AR1EPHX2MTNR1AMTNR1BITGB3
SCHEMBL20988216 0.80 NOD1 (0.35) C3AR1NPY1RITGB3ITGA2B
Arginine SCHEMBL1663212 0.79 FOLH1 (0.39) C3AR1
Arginine SCHEMBL1662071 0.79 FOLH1 (0.39) C3AR1
Arginine SCHEMBL1660453 0.79 FOLH1 (0.39) C3AR1
Arginine SCHEMBL12002430 0.79 FOLH1 (0.39) C3AR1
SCHEMBL19090970 0.79 NPY4R (0.35) C3AR1EPHX2NPY1RITGB3ITGA2B
SCHEMBL28573562 0.79 NOD1 (0.34) C3AR1NPY1RITGB3ITGA2B

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-2020034209-A1 AMINO ACID DEHYDROGENASE MUTANT AND APPLICATION THEREOF 凯莱英生命科学技术(天津)有限公司 2020-02-20 WO disclosed