SCHEMBL11214432

SCHEMBL11214432

COC(=O)C[C@H](NCCCNC1CCCCC1)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.42
EPHX2 P34913 5/20 0.41
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 2/20 0.38
SIGMAR1 Q99720 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
BCHE P06276 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL11211821 0.88 KDM4E (0.40) CXCR4ALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL11205755 0.88 CXCR4 (0.39) CXCR4ALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL11207623 0.88 CXCR4 (0.41) CXCR4ALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL3654145 0.75 EPHX2 (0.67) CXCR4EPHX2ALDH1A1SMN1; SMN2HTT
SCHEMBL11150517 0.74 SMN1; SMN2 (0.41) ALDH1A1SMN1; SMN2POLB
SCHEMBL20758863 0.74 EPHX1 (0.41) CXCR4ALDH1A1SMN1; SMN2HTTKDM4E
SCHEMBL7380230 0.73 EPHX2 (0.39) EPHX2ALDH1A1SMN1; SMN2
SCHEMBL11237882 0.73 KDM4E (0.39) ALDH1A1HTTKDM4EBCHE
SCHEMBL3649522 0.73 EPHX2 (0.64) CXCR4EPHX2ALDH1A1SMN1; SMN2HTT
SCHEMBL16949684 0.72 EPHX2 (0.68) CXCR4EPHX2ALDH1A1KDM4EKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0018948-B1 N-SUBSTITUTED DERIVATIVES OF ASPARTIC ACID, PROCESS FOR THEIR PREPARATION, THEIR USE AND EPOXY RESINS PRODUCED WITH THEIR AID CIBA-GEIGY AG (CH) 1983-07-13 EP claimed
US-4284755-A REACTING A MALEIC MONOESTER AND A DIAMINE CIBA-GEIGY CORPORATION (US) 1981-08-18 US claimed
US-4284755-A REACTING A MALEIC MONOESTER AND A DIAMINE CIBA-GEIGY CORPORATION (US) 1981-08-18 US disclosed