SCHEMBL20312213

SCHEMBL20312213

O=C(O)CNC(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1)C(=O)O

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 13/20 0.78
▸ EPHX1 P07099 4/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ KDM4E B2RXH2 1/20 0.50
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC8 Q9BY41 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ LMNA P02545 1/20 0.49

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
SCHEMBL22840014 1.00 FOLH1 (0.78) FOLH1EPHX1ALDH1A1HTTKDM4E
SCHEMBL20335023 0.91 FOLH1 (0.83) FOLH1EPHX1ALDH1A1HTTKDM4E
SCHEMBL20335021 0.91 FOLH1 (0.83) FOLH1EPHX1ALDH1A1HTTKDM4E
SCHEMBL19756834 0.90 FOLH1 (0.86) FOLH1EPHX1ALDH1A1HTTLMNA
SCHEMBL24585291 0.89 FOLH1 (0.63) FOLH1ALDH1A1
SCHEMBL22840039 0.89 FOLH1 (0.79) FOLH1ALDH1A1
SCHEMBL20312183 0.89 FOLH1 (0.63) FOLH1ALDH1A1
SCHEMBL22840031 0.89 FOLH1 (0.79) FOLH1
SCHEMBL20312202 0.89 FOLH1 (0.79) FOLH1
SCHEMBL20312237 0.89 FOLH1 (0.79) FOLH1ALDH1A1

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
EP-2942065-B1 HETERODIMERS OF GLUTAMIC ACID MOLECULAR INSIGHT PHARM INC (US) 2018-06-27 — — EP disclosed
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