SCHEMBL8922709

SCHEMBL8922709

CCOC(=O)C(CCc1ccccc1)SCC(=O)OC(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.43
CTSK P43235 2/20 0.43
CTSS P25774 1/20 0.43
MMP8 P22894 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
F10 P00742 1/20 0.38
PPID Q08752 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
F2 P00734 1/20 0.38

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
SCHEMBL8922510 0.84 SMN1; SMN2 (0.49) ACESMN1; SMN2MMP8MAPTNPC1
SCHEMBL1856485 0.82 SMN1; SMN2 (0.51) ACESMN1; SMN2MMP8TSHRMAPT
SCHEMBL4008125 0.76 SMN1; SMN2 (0.49) ACESMN1; SMN2MMP8TSHRMAPT
SCHEMBL7423179 0.75 MEN1 (0.46) SMN1; SMN2CTSKCTSSNPC1
SCHEMBL3991999 0.73 SMN1; SMN2 (0.48) ACESMN1; SMN2MMP8MAPTNPC1
SCHEMBL29269490 0.72 CTSK (0.50) SMN1; SMN2CTSKCTSSTSHR
SCHEMBL29269488 0.72 CTSK (0.50) SMN1; SMN2CTSKCTSSTSHR
SCHEMBL10725308 0.72 CTSK (0.55) ACESMN1; SMN2CTSKCTSSTSHR
SCHEMBL10829369 0.72 ACE (0.56) ACESMN1; SMN2
SCHEMBL10603596 0.72 ACE (0.56) ACESMN1; SMN2

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-5633379-A N-METHYLASPARTIC ACID ANTAGONIST CIBA-GEIGY CORPORATION (US) 1997-05-27 US disclosed