SCHEMBL16439872

SCHEMBL16439872

O=C(O)C(CO)NC1CCCCCCC1.[NaH]

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ EPHX1 P07099 6/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ EPHX2 P34913 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ TGFBR1 P36897 1/20 0.37
▸ GRN P28799 1/20 0.37
▸ SORT1 Q99523 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 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
SCHEMBL16439982 1.00 LMNA (0.40) LMNAALDH1A1EPHX1SMN1; SMN2NPC1
SCHEMBL16439957 1.00 LMNA (0.40) LMNAALDH1A1EPHX1SMN1; SMN2NPC1
SCHEMBL16439861 0.98 LMNA (0.41) LMNAALDH1A1EPHX1SMN1; SMN2NPC1
SCHEMBL2790674 0.98 LMNA (0.41) LMNAALDH1A1EPHX1SMN1; SMN2NPC1
SCHEMBL2797132 0.98 LMNA (0.41) LMNAALDH1A1EPHX1SMN1; SMN2NPC1
SCHEMBL16340697 0.98 LMNA (0.41) LMNAALDH1A1EPHX1SMN1; SMN2NPC1
SCHEMBL2790675 0.98 LMNA (0.41) LMNAALDH1A1EPHX1SMN1; SMN2NPC1
SCHEMBL16439953 0.94 TGFBR1 (0.38) LMNAALDH1A1EPHX1SMN1; SMN2EPHX2
SCHEMBL16439877 0.90 TGFBR1 (0.41) LMNATGFBR1GRNSORT1
SCHEMBL16440016 0.83 EPHX1 (0.45) LMNAALDH1A1EPHX1SMN1; SMN2EPHX2

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
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