SCHEMBL16439999

SCHEMBL16439999

O=C(O)CCCNC1CCCCCC1.[NaH]

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.62
ALDH1A1 P00352 3/20 0.56
EPHX1 P07099 1/20 0.54
CXCR4 P61073 4/20 0.50
SMN1; SMN2 Q16637 2/20 0.47
TAAR1 Q96RJ0 1/20 0.46
SIGMAR1 Q99720 1/20 0.43
KMT2A Q03164 1/20 0.43
CXCL12 P48061 1/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 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
SCHEMBL16439978 1.00 EPHX2 (0.62) EPHX2ALDH1A1EPHX1CXCR4SMN1; SMN2
SCHEMBL16440007 1.00 EPHX2 (0.62) EPHX2ALDH1A1EPHX1CXCR4SMN1; SMN2
SCHEMBL16440004 0.98 EPHX2 (0.59) EPHX2ALDH1A1EPHX1CXCR4SMN1; SMN2
SCHEMBL2677321 0.98 EPHX2 (0.64) EPHX2ALDH1A1EPHX1CXCR4SMN1; SMN2
SCHEMBL1288428 0.96 EPHX2 (0.61) EPHX2ALDH1A1EPHX1CXCR4SMN1; SMN2
SCHEMBL16439922 0.94 EPHX2 (0.54) EPHX2ALDH1A1EPHX1CXCR4SMN1; SMN2
SCHEMBL5510947 0.92 EPHX1 (0.63) EPHX2ALDH1A1EPHX1CXCR4SMN1; SMN2
SCHEMBL12482731 0.92 EPHX2 (0.56) EPHX2ALDH1A1EPHX1CXCR4SMN1; SMN2
SCHEMBL20389857 0.91 EPHX2 (0.57) EPHX2ALDH1A1EPHX1CXCR4SMN1; SMN2
SCHEMBL9766529 0.91 EPHX1 (0.66) EPHX2ALDH1A1EPHX1CXCR4SMN1; SMN2

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