SCHEMBL11727564

SCHEMBL11727564

N=C(N)NCCC[C@H](NCC(O)C(O)C(O)C(O)CO)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ USP2 O75604 1/20 0.37
▸ SLCO1B1 Q9Y6L6 1/20 0.37
▸ PDE4A P27815 1/20 0.36
▸ C3AR1 Q16581 1/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ LMNA P02545 1/20 0.31
▸ NPY4R P50391 3/20 0.31
▸ NPY1R P25929 2/20 0.31
▸ NPY2R P49146 2/20 0.31
▸ NPY5R Q15761 2/20 0.31
▸ TGFBR1 P36897 1/20 0.30
▸ ITGB3 P05106 1/20 0.30
▸ ITGA2B P08514 1/20 0.30
▸ ALOX15 P16050 1/20 0.30
▸ GGT1 P19440 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
SCHEMBL11737292 0.89 C3AR1 (0.42) USP2SLCO1B1PDE4AC3AR1KDM4E
SCHEMBL11735959 0.86 C3AR1 (0.42) USP2SLCO1B1PDE4AC3AR1KDM4E
SCHEMBL23296534 0.85 C3AR1 (0.35) C3AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL2485111 0.85 C3AR1 (0.35) C3AR1NPY4RNPY1RNPY2RNPY5R
Hydrochloric Acid SCHEMBL28862380 0.84 C3AR1 (0.34) C3AR1NPY4RNPY1RNPY2RNPY5R
Hydrochloric Acid SCHEMBL27877011 0.81 PDE4A (0.40) USP2SLCO1B1PDE4AC3AR1LMNA
Arginine SCHEMBL28681526 0.81 OTC (0.46) USP2SLCO1B1PDE4AALOX15
SCHEMBL2481089 0.81 NPY4R (0.37) C3AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL9488991 0.81 NPY4R (0.37) C3AR1NPY4RNPY1RNPY2RNPY5R
SCHEMBL19366157 0.81 NPY4R (0.33) NPY4RNPY1RNPY2RNPY5R

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
US-4032676-A MOISTURIZERS HENKEL & CIE G.M.B.H. (DT) 1977-06-28 — — US claimed
US-4032676-A MOISTURIZERS HENKEL & CIE G.M.B.H. (DT) 1977-06-28 — — US disclosed
Send feedback