SCHEMBL4787410

SCHEMBL4787410

Cc1cc(OCC(=O)C(C)C)cc(C)c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HPGD P15428 4/20 0.40
KDM4E B2RXH2 3/20 0.39
RECQL P46063 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
THRB P10828 2/20 0.38
HSD17B10 Q99714 2/20 0.38
PTPRB P23467 1/20 0.38
OGG1 O15527 1/20 0.38
PKM P14618 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CYP1A2 P05177 1/20 0.37

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
SCHEMBL20428035 0.76 HPGD (0.50) ALDH1A1LMNAL3MBTL1HPGDRECQL
SCHEMBL4098513 0.76 NPC1 (0.52) ALDH1A1LMNAHPGDKDM4ERECQL
SCHEMBL14022449 0.74 NPC1 (0.47) ALDH1A1LMNAL3MBTL1HPGDKDM4E
SCHEMBL21100162 0.72 ALDH1A1 (0.50) ALDH1A1LMNAHPGDKDM4EGAA
SCHEMBL1927578 0.71 TDP1 (0.60) ALDH1A1HPGDKDM4EGAAMAPT
SCHEMBL1928099 0.71 LMNA (0.45) ALDH1A1LMNAL3MBTL1HPGDKDM4E
SCHEMBL28992828 0.70 MAPT (0.43) ALDH1A1HPGDKDM4ERECQLGAA
SCHEMBL772894 0.69 KMT2A (0.56) ALDH1A1HPGDKDM4EMAPTMEN1
SCHEMBL26089966 0.68 MEN1 (0.42) ALDH1A1LMNAHPGDKDM4ERECQL
SCHEMBL12370955 0.67 ALOX15 (0.61) LMNAHPGDMAPTMEN1KMT2A

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
WO-2008135824-A1 OXYALKYLPYRAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2008-11-13 WO disclosed
WO-2008135824-A1 OXYALKYLPYRAZOLE COMPOUNDS USEFUL IN THERAPY PFIZER LIMITED (GB) 2008-11-13 WO disclosed