SCHEMBL11740613

SCHEMBL11740613

NCCCC[C@H](NCC(O)C(O)C(O)C(O)CO)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.44
▸ USP2 O75604 1/20 0.42
▸ SLCO1B1 Q9Y6L6 1/20 0.42
▸ PDE4A P27815 1/20 0.41
▸ GSR P00390 1/20 0.40
▸ RNPEP Q9H4A4 1/20 0.39
▸ MMP2 P08253 1/20 0.37
▸ MMP9 P14780 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ GGT1 P19440 1/20 0.36
▸ CPB2 Q96IY4 8/20 0.36
▸ SLC6A5 Q9Y345 1/20 0.36
▸ LMNA P02545 1/20 0.35

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
SCHEMBL4752594 1.00 FOLH1 (0.44) FOLH1USP2SLCO1B1PDE4AGSR
SCHEMBL11735016 0.84 PDE4A (0.40) FOLH1USP2SLCO1B1PDE4AKDM4E
SCHEMBL4100264 0.83 FOLH1 (0.47) FOLH1GSRRNPEPMMP2MMP9
SCHEMBL4087629 0.83 FOLH1 (0.47) FOLH1GSRRNPEPMMP2MMP9
Hydrochloric Acid SCHEMBL6010125 0.81 FOLH1 (0.46) FOLH1GSRRNPEPMMP2MMP9
Hydrochloric Acid SCHEMBL6010135 0.81 FOLH1 (0.46) FOLH1GSRRNPEPMMP2MMP9
SCHEMBL11737292 0.81 C3AR1 (0.42) FOLH1USP2SLCO1B1PDE4AKDM4E
SCHEMBL7225798 0.80 FOLH1 (0.54) FOLH1GSRRNPEPMMP2MMP9
SCHEMBL7198299 0.80 FOLH1 (0.54) FOLH1GSRRNPEPMMP2MMP9
SCHEMBL11729532 0.80 PDE4A (0.52) USP2SLCO1B1PDE4AKDM4ELMNA

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
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