SCHEMBL16439953

SCHEMBL16439953

O=C(O)C(CO)NC1CCC1.[NaH]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 3/20 0.38
▸ LMNA P02545 1/20 0.37
▸ ALDH1A1 P00352 3/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ HCK P08631 2/20 0.33
▸ FLT3 P36888 2/20 0.33
▸ MME P08473 2/20 0.33
▸ ACE P12821 1/20 0.33
▸ CPA1 P15085 1/20 0.33
▸ ACE2 Q9BYF1 1/20 0.33
▸ SMN1; SMN2 Q16637 4/20 0.33
▸ EPHX2 P34913 1/20 0.32
▸ GRN P28799 1/20 0.32
▸ SORT1 Q99523 1/20 0.32
▸ MMP2 P08253 1/20 0.31
▸ MMP8 P22894 1/20 0.31
▸ EPHX1 P07099 1/20 0.31

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
SCHEMBL16439861 0.96 LMNA (0.41) TGFBR1LMNAALDH1A1CYP3A4CYP2D6
SCHEMBL16439982 0.94 LMNA (0.40) TGFBR1LMNAALDH1A1CYP3A4CYP2D6
SCHEMBL16439872 0.94 LMNA (0.40) TGFBR1LMNAALDH1A1CYP3A4CYP2D6
SCHEMBL16439957 0.94 LMNA (0.40) TGFBR1LMNAALDH1A1CYP3A4CYP2D6
SCHEMBL16340697 0.92 LMNA (0.41) TGFBR1LMNAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2790674 0.92 LMNA (0.41) TGFBR1LMNAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2797132 0.92 LMNA (0.41) TGFBR1LMNAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL2790675 0.92 LMNA (0.41) TGFBR1LMNAALDH1A1CYP3A4SMN1; SMN2
SCHEMBL16439877 0.92 TGFBR1 (0.41) TGFBR1LMNAHCKFLT3MME
SCHEMBL16439931 0.82 LMNA (0.40) LMNAALDH1A1SMN1; SMN2EPHX2EPHX1

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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