SCHEMBL13414993

SCHEMBL13414993

CC(=O)c1cccc(C2OCCCO2)c1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
DRD3 P35462 1/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 2/20 0.45
ATM Q13315 1/20 0.45
PARP1 P09874 1/20 0.44
ALDH1A1 P00352 6/20 0.42
LMNA P02545 3/20 0.42
HTT P42858 1/20 0.42
KMO O15229 1/20 0.41
TDP1 Q9NUW8 1/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
CYP2C19 P33261 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KMT2A Q03164 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
SCHEMBL4246223 0.93 PARP1 (0.46) SMN1; SMN2DRD3NPC1RAB9APARP1
SCHEMBL2207708 0.83 ALDH1A1 (0.45) SMN1; SMN2DRD3NPC1RAB9AATM
SCHEMBL5423204 0.80 PARP1 (0.49) NPC1RAB9AATMPARP1ALDH1A1
SCHEMBL1499340 0.78 PARP1 (0.70) SMN1; SMN2DRD3NPC1RAB9APARP1
SCHEMBL2282510 0.78 KMO (0.56) SMN1; SMN2RAB9APARP1ALDH1A1LMNA
SCHEMBL310551 0.77 PARP1 (0.39) SMN1; SMN2NPC1RAB9AATMPARP1
SCHEMBL13962635 0.77 PARP1 (0.46) SMN1; SMN2NPC1RAB9AATMPARP1
SCHEMBL13901589 0.77 PARP1 (0.46) NPC1RAB9AATMPARP1ALDH1A1
SCHEMBL6697278 0.77 PARP1 (0.68) PARP1TDP1CYP2C19L3MBTL1
SCHEMBL21153236 0.76 PARP1 (0.43) SMN1; SMN2NPC1RAB9AATMPARP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8304171-B2 Plate making method of lithographic printing plate precursor FUJIFILM CORPORATION (JP) 2012-11-06 US disclosed
US-20100075260-A1 PLATE MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed
US-20100075260-A1 PLATE MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2010-03-25 US disclosed