SCHEMBL11735959

SCHEMBL11735959

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

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ C3AR1 Q16581 1/20 0.42
▸ USP2 O75604 1/20 0.36
▸ SLCO1B1 Q9Y6L6 1/20 0.36
▸ PDE4A P27815 1/20 0.34
▸ SHMT1 P34896 1/20 0.33
▸ CTDSP1 Q9GZU7 1/20 0.33
▸ TGFBR1 P36897 1/20 0.32
▸ PDCD1 Q15116 1/20 0.32
▸ CD274 Q9NZQ7 1/20 0.32
▸ GGT1 P19440 1/20 0.31
▸ KDM4E B2RXH2 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KLK7 P49862 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ FOLH1 Q04609 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 0.97 C3AR1 (0.42) C3AR1USP2SLCO1B1PDE4ASHMT1
SCHEMBL11727564 0.86 USP2 (0.37) C3AR1USP2SLCO1B1PDE4ATGFBR1
SCHEMBL11729560 0.86 C3AR1 (0.42) C3AR1PDE4ASHMT1CTDSP1PDCD1
L-Citrulline SCHEMBL27725352 0.80 OTC (0.48) USP2SLCO1B1PDE4AMEN1KMT2A
SCHEMBL11740613 0.78 FOLH1 (0.44) USP2SLCO1B1PDE4AGGT1KDM4E
SCHEMBL4752594 0.78 FOLH1 (0.44) USP2SLCO1B1PDE4AGGT1KDM4E
SCHEMBL11735016 0.77 PDE4A (0.40) USP2SLCO1B1PDE4AKDM4EFOLH1
SCHEMBL143455 0.77 C3AR1 (0.50) C3AR1SHMT1CTDSP1PDCD1CD274
SCHEMBL23388718 0.77 USP2 (0.43) USP2SLCO1B1PDE4ATGFBR1KDM4E
SCHEMBL31038965 0.77 USP2 (0.43) USP2SLCO1B1PDE4ATGFBR1KDM4E

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-4038409-A FUNGICIDES, BACTERICIDES, PROTOZOICIDES SYNTEX (U.S.A.) INC. (US) 1977-07-26 — — US disclosed
US-4032676-A MOISTURIZERS HENKEL & CIE G.M.B.H. (DT) 1977-06-28 — — US disclosed
Send feedback