SCHEMBL7450688

SCHEMBL7450688

CCOC(=O)[C@@H](CN)c1cc(C)no1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
ALDH1A1 P00352 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
HCAR2 Q8TDS4 1/20 0.39
RAB9A P51151 3/20 0.38
NPC1 O15118 2/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
VHL P40337 1/20 0.37
HTT P42858 1/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPT P10636 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
THRB P10828 1/20 0.33

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
Hydrochloric Acid SCHEMBL7463131 0.98 LMNA (0.40) LMNAALDH1A1SMN1; SMN2POLBHCAR2
SCHEMBL16619625 0.79 LMNA (0.43) LMNAALDH1A1SMN1; SMN2POLBHCAR2
SCHEMBL6385541 0.76 PPARG (0.42) LMNAALDH1A1SMN1; SMN2RAB9ANPC1
SCHEMBL25602286 0.76 POLB (0.43) LMNAALDH1A1SMN1; SMN2POLBHCAR2
SCHEMBL16619623 0.76 SMN1; SMN2 (0.43) LMNAALDH1A1SMN1; SMN2POLBHCAR2
SCHEMBL7450681 0.74 LMNA (0.40) LMNAALDH1A1SMN1; SMN2POLBHCAR2
SCHEMBL28611486 0.73 HCAR2 (0.47) LMNAALDH1A1SMN1; SMN2POLBHCAR2
Hydrochloric Acid SCHEMBL7463125 0.73 LMNA (0.39) LMNAALDH1A1SMN1; SMN2POLBHCAR2
SCHEMBL28623109 0.71 HCAR2 (0.44) LMNAALDH1A1SMN1; SMN2POLBHCAR2
SCHEMBL7450691 0.71 VHL (0.46) LMNAALDH1A1SMN1; SMN2POLBHCAR2

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
WO-1996029309-A1 N-ACYLPIPERIDINYLCARBONYLAMINOCARBOXYLIC ACIDS AND THEIR USE AS GLYCOPROTEIN IIB/IIa ANTAGONISTS AND FIBRINOGEN-BLOOD PLATELETS BINDING INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-09-26 WO disclosed