SCHEMBL27904262

SCHEMBL27904262

O=C(O)[C@@H]1CCCN1C(=O)OCC(F)(F)F

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.60
▸ ALDH1A1 P00352 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ LMNA P02545 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ ACE P12821 10/20 0.45
▸ REN P00797 3/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ F2 P00734 1/20 0.43
▸ LTA4H P09960 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ PEPD P12955 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ PTGS1 P23219 1/20 0.43
▸ HTR2A P28223 1/20 0.43
▸ PTGS2 P35354 1/20 0.43
▸ HRH1 P35367 1/20 0.43
▸ THPO P40225 1/20 0.43
▸ PMP22 Q01453 1/20 0.43

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
SCHEMBL27922142 0.86 RAB9A (0.44) RAB9AALDH1A1SMN1; SMN2HSD17B10PEPD
SCHEMBL3813322 0.86 RAB9A (0.44) RAB9AALDH1A1SMN1; SMN2PEPD
SCHEMBL28836255 0.86 RAB9A (0.61) RAB9AALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL7367598 0.86 RAB9A (0.61) RAB9AALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL3172593 0.80 RAB9A (0.71) RAB9AALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL7406144 0.80 RAB9A (0.71) RAB9AALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL3172600 0.80 RAB9A (0.71) RAB9AALDH1A1SMN1; SMN2LMNAHSD17B10
SCHEMBL23217920 0.79 RAB9A (0.65) RAB9AALDH1A1SMN1; SMN2LMNAHSD17B10
Hydrochloric Acid SCHEMBL28049456 0.79 RAB9A (0.69) RAB9AALDH1A1SMN1; SMN2LMNAHSD17B10
Hydrochloric Acid SCHEMBL27968384 0.79 RAB9A (0.69) RAB9AALDH1A1SMN1; SMN2LMNAHSD17B10

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
CN-103124722-B Method for producing amino acid amide derivative having fluorine-containing carbamate group, production intermediate thereof, and method for producing ethylene diamine derivative MITSUI CHEMICALS AGRO INC 2014-11-12 — — CN disclosed
CN-103124722-A Method for producing amino acid amide derivative having fluorine-containing carbamate group, production intermediate thereof, and method for producing ethylene diamine derivative MITSUI CHEMICALS AGRO INC 2013-05-29 — — CN disclosed
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