SCHEMBL16440004

SCHEMBL16440004

O=C(O)CCCNC1CCCC1.[NaH]

nearest known ligand 0.59

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.59
ALDH1A1 P00352 5/20 0.53
EPHX1 P07099 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.48
CXCR4 P61073 1/20 0.47
TAAR1 Q96RJ0 1/20 0.44
HTT P42858 1/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC10 Q969S8 2/20 0.42
HDAC11 Q96DB2 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
NCOR2 Q9Y618 1/20 0.42
KDM4E B2RXH2 3/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
SIGMAR1 Q99720 1/20 0.41

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
SCHEMBL16440007 0.98 EPHX2 (0.62) EPHX2ALDH1A1EPHX1SMN1; SMN2CXCR4
SCHEMBL16439978 0.98 EPHX2 (0.62) EPHX2ALDH1A1EPHX1SMN1; SMN2CXCR4
SCHEMBL16439999 0.98 EPHX2 (0.62) EPHX2ALDH1A1EPHX1SMN1; SMN2CXCR4
SCHEMBL1288428 0.98 EPHX2 (0.61) EPHX2ALDH1A1EPHX1SMN1; SMN2CXCR4
SCHEMBL2677321 0.96 EPHX2 (0.64) EPHX2ALDH1A1EPHX1SMN1; SMN2CXCR4
SCHEMBL16439922 0.96 EPHX2 (0.54) EPHX2ALDH1A1EPHX1SMN1; SMN2CXCR4
SCHEMBL12482731 0.94 EPHX2 (0.56) EPHX2ALDH1A1EPHX1SMN1; SMN2CXCR4
SCHEMBL16439924 0.92 EPHX2 (0.49) EPHX2ALDH1A1EPHX1SMN1; SMN2CXCR4
SCHEMBL5510947 0.90 EPHX1 (0.63) EPHX2ALDH1A1EPHX1SMN1; SMN2CXCR4
SCHEMBL29952543 0.90 EPHX2 (0.50) EPHX2ALDH1A1EPHX1SMN1; SMN2CXCR4

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-20150044114-A1 ACID GAS ABSORBENT, ACID GAS REMOVAL METHOD, AND ACID GAS REMOVAL DEVICE KABUSHIKI KAISHA TOSHIBA (JP) 2015-02-12 US disclosed
EP-2835170-A1 Acid gas absorbent, acid gas removal method, and acid gas removal device Kabushiki Kaisha Toshiba (JP) 2015-02-11 EP disclosed