SCHEMBL8909308

SCHEMBL8909308

CCC(O)(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.49
LMNA P02545 1/20 0.49
CA12 O43570 2/20 0.48
CA1 P00915 2/20 0.48
CA2 P00918 2/20 0.48
CA9 Q16790 2/20 0.48
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
CTSS P25774 1/20 0.46
SYK P43405 1/20 0.46
CTSK P43235 2/20 0.46
MAPT P10636 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL7752766 0.86 MEN1 (0.59) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL8981259 0.84 MEN1 (0.55) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL8442319 0.83 KMT2A (0.53) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL1150931 0.83 CTSS (0.57) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL1150932 0.83 CTSS (0.57) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL5970504 0.83 CTSS (0.57) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL8442388 0.83 KMT2A (0.53) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL8282485 0.83 MEN1 (0.58) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL3645520 0.82 MEN1 (0.53) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL20382395 0.82 KMT2A (0.62) MEN1KMT2AALDH1A1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5688946-A DIPEPTIDES FOR HYPOTENSIVE AGENTS AND CARDIOVASCULAR DISORDERS HOFFMANN LA ROCHE INC. (US) 1997-11-18 US disclosed
US-4965250-A TETRAPEPTIDE; IMMUNE SYSTEM ACTIVATION ADIR ET CIE (FR) 1990-10-23 US disclosed
EP-0257602-A1 (5R,6S,8R)-6-(1-hydroxyethyl)-2-(3R-pyrolidin-2-one-3-yl-)thiopenem-3-carboxylic acid SCHERING CORPORATION (US) 1988-03-02 EP disclosed
US-4424343-A Preparation of 1-N- ω-amino-α-hydroxyalkanoyl!kanamycin polysilylates and products BRISTOL MYERS COMPANY (US) 1984-01-03 US disclosed