SCHEMBL9757616

SCHEMBL9757616

CCC(=O)OC=Cc1ccccc1.[Zr]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
GLA P06280 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PAM P19021 2/20 0.43
LMNA P02545 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HDAC3 O15379 1/20 0.42
TNKS O95271 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HCAR2 Q8TDS4 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
TNKS2 Q9H2K2 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL11817417 0.98 NPC1 (0.46) NPC1L3MBTL1GLATDP1PAM
SCHEMBL1397184 0.98 NPC1 (0.46) NPC1L3MBTL1GLATDP1PAM
SCHEMBL14838523 0.88 HDAC2 (0.46) NPC1L3MBTL1SMN1; SMN2HDAC1HDAC2
SCHEMBL3239706 0.84 NPC1 (0.44) NPC1L3MBTL1GLATDP1PAM
SCHEMBL11819176 0.84 NPC1 (0.44) NPC1L3MBTL1GLATDP1PAM
SCHEMBL3870456 0.83 ALDH1A1 (0.47) NPC1L3MBTL1GLATDP1PAM
SCHEMBL3866469 0.83 HAO1 (0.47) NPC1GLATDP1PAMLMNA
SCHEMBL3870459 0.83 ALDH1A1 (0.47) NPC1L3MBTL1GLATDP1PAM
SCHEMBL3866464 0.83 HAO1 (0.47) NPC1GLATDP1PAMLMNA
SCHEMBL27717672 0.81 PAM (0.46) NPC1L3MBTL1GLATDP1PAM

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
EP-0418254-A1 TREATMENT OF SURFACES AND SURFACE LAYERS PÜHRINGER, Josef, Dr. (SE) 1991-03-27 EP disclosed
WO-1989010386-A1 TREATMENT OF SURFACES AND SURFACE LAYERS PUEHRINGER JOSEF (SE) 1989-11-02 WO disclosed