SCHEMBL7090597

SCHEMBL7090597

O=C=C1C(O)CCN1Oc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
GAA P10253 1/20 0.35
ALDH1A1 P00352 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CHRNA7 P36544 1/20 0.33
HTR3A P46098 1/20 0.33
LMNA P02545 1/20 0.33
FFAR1 O14842 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRM2 P08172 2/20 0.31
CHRM1 P11229 2/20 0.31
CHRM3 P20309 2/20 0.31
HTT P42858 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 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
SCHEMBL8473466 0.63 ALOX12 (0.41) NPC1RAB9AALDH1A1SMN1; SMN2MEN1
SCHEMBL3077812 0.60 CTSV (0.38) GAAALDH1A1SMN1; SMN2CHRNA7HTR3A
SCHEMBL1828600 0.59 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL7171239 0.58 LTA4H (0.43) MEN1KMT2A
SCHEMBL4101527 0.58 SPHK2 (0.47) CHRNA7FFAR1MEN1KMT2A
SCHEMBL7016053 0.58 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2LMNAFFAR1HTT
SCHEMBL3072909 0.58 CTSV (0.39) GAAALDH1A1SMN1; SMN2
SCHEMBL4101521 0.58 SPHK2 (0.47) CHRNA7FFAR1MEN1KMT2A
SCHEMBL2244976 0.58 USP30 (0.50) SMN1; SMN2CHRM2CHRM3
SCHEMBL11875407 0.58 NAAA (0.49)

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
US-20030219883-A1 Process for preparing optically active 3-hydroxypyrrolidine derivatives by enzymatic hydroxylation LI ZHI (CH) 2003-11-27 US disclosed