SCHEMBL8970916

SCHEMBL8970916

O=C(N[C@](Cl)(CCC1CCCCC1)C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
RAB9A P51151 4/20 0.46
ALDH1A1 P00352 3/20 0.46
GAA P10253 1/20 0.46
LDLR P01130 1/20 0.44
NPC1 O15118 3/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 1/20 0.43
ACHE P22303 1/20 0.42
CTSL P07711 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
CTSK P43235 1/20 0.42
EPHX2 P34913 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40

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
SCHEMBL8970217 0.83 SMN1; SMN2 (0.47) SMN1; SMN2RAB9AALDH1A1GAALDLR
SCHEMBL8396478 0.75 SMN1; SMN2 (0.68) SMN1; SMN2RAB9AALDH1A1GAALDLR
SCHEMBL8395193 0.75 SMN1; SMN2 (0.68) SMN1; SMN2RAB9AALDH1A1GAALDLR
SCHEMBL8393679 0.73 ACHE (0.66) SMN1; SMN2RAB9AALDH1A1GAALDLR
SCHEMBL8393231 0.72 SMN1; SMN2 (0.64) SMN1; SMN2RAB9AALDH1A1GAANPC1
SCHEMBL8391413 0.72 SMN1; SMN2 (0.64) SMN1; SMN2RAB9AALDH1A1GAANPC1
SCHEMBL25123079 0.71 SMN1; SMN2 (0.76) SMN1; SMN2RAB9AALDH1A1GAANPC1
SCHEMBL8395225 0.71 SMN1; SMN2 (0.76) SMN1; SMN2RAB9AALDH1A1GAANPC1
SCHEMBL4522241 0.71 SMN1; SMN2 (0.76) SMN1; SMN2RAB9AALDH1A1GAANPC1
SCHEMBL5529225 0.71 LDLR (0.51) SMN1; SMN2RAB9AALDH1A1LDLRNPC1

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-5502221-A HYPOTENSIVE INTERMEDIATE TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-03-26 US disclosed
US-5442105-A Catalytic hydrogenation, epoxidation, reacting product with trialkylsilyl azide in the presence of a Lewis acid, hydrogenolysis TAKASAGO INTERNATIONAL CORPORATION (JP) 1995-08-15 US disclosed