SCHEMBL28535957

SCHEMBL28535957

C=C(NC(=O)c1ccccc1)C1CCCCC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.56
NPC1 O15118 2/20 0.56
KCNK3 O14649 1/20 0.51
KCNK9 Q9NPC2 1/20 0.51
ATM Q13315 1/20 0.51
GAA P10253 3/20 0.49
HPGD P15428 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.44
ELANE P08246 1/20 0.44

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
SCHEMBL4266412 0.83 KCNK3 (0.61) RAB9ANPC1KCNK3KCNK9ATM
SCHEMBL11191665 0.77 RAB9A (0.53) RAB9ANPC1KCNK3KCNK9ATM
SCHEMBL9915087 0.75 KCNK3 (0.50) RAB9ANPC1KCNK3KCNK9ATM
SCHEMBL10582886 0.75 ALDH1A1 (0.68) RAB9AKCNK3KCNK9GAAHPGD
SCHEMBL27566019 0.74 POLB (0.47) RAB9ANPC1KCNK3KCNK9ATM
SCHEMBL9915088 0.73 KCNK3 (0.48) RAB9ANPC1KCNK3KCNK9ATM
SCHEMBL27615293 0.73 SMN1; SMN2 (0.75) RAB9ANPC1ATMGAASMN1; SMN2
SCHEMBL5796079 0.73 NPC1 (0.55) RAB9ANPC1KCNK3KCNK9GAA
SCHEMBL5796077 0.73 NPC1 (0.55) RAB9ANPC1KCNK3KCNK9GAA
SCHEMBL31506905 0.73 RAB9A (0.49) RAB9ANPC1KCNK3KCNK9ATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108752232-B Synthetic method of alpha-quaternary carbon amino acid 四川大学 2021-03-19 CN disclosed