SCHEMBL2291952

SCHEMBL2291952

C=CCC(O)C(O)CNCCN1CCNC1=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 2/20 0.38
LMNA P02545 1/20 0.38
RET P07949 1/20 0.36
KDR P35968 1/20 0.36
SCN9A Q15858 5/20 0.33
FPR3 P25089 3/20 0.33
FPR2 P25090 3/20 0.33
CREBBP Q92793 1/20 0.33
PER2 O15055 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32

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
SCHEMBL98511 0.78 RAB9A (0.36) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL7913464 0.77 ALDH1A1 (0.43) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL471729 0.74 ALDH1A1 (0.50) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL28922453 0.74 KMT2A (0.38) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL17485954 0.74 KMT2A (0.46) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL19347728 0.73 KMT2A (0.37) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL379018 0.73 KMT2A (0.43) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL22030392 0.73 ALDH1A1 (0.49) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL2578623 0.71 KMT2A (0.41) KMT2ARAB9AALDH1A1KDM4ELMNA
SCHEMBL20734660 0.70 KMT2A (0.48) KMT2ARAB9AALDH1A1KDM4ELMNA

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-8716519-B2 Cross-linkable monomers and polymers and the use thereof CELANESE EMULSIONS GMBH (DE) 2014-05-06 US disclosed
US-20110190462-A1 Cross-Linkable Monomers and Polymers and the Use Thereof CELANESE EMULSIONS GMBH (DE) 2011-08-04 US disclosed