SCHEMBL4801925

SCHEMBL4801925

CC(C)(C)c1ccc(OCCCO)c(C(C)(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.46
ALDH1A1 P00352 4/20 0.44
MAPK1 P28482 6/20 0.44
MAPT P10636 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
TRPV1 Q8NER1 1/20 0.44
SMN1; SMN2 Q16637 5/20 0.44
LMNA P02545 3/20 0.44
HTT P42858 3/20 0.43
RECQL P46063 1/20 0.43
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
GAA P10253 2/20 0.43
CYP2C19 P33261 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.41
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
RARA P10276 2/20 0.40
RARB P10826 2/20 0.40
RARG P13631 2/20 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
SCHEMBL7879136 0.92 KDM4E (0.47) KDM4EALDH1A1MAPK1MAPTNPSR1
SCHEMBL14097237 0.86 KDM4E (0.48) KDM4EALDH1A1MAPK1MAPTNPSR1
SCHEMBL4856058 0.85 KDM4E (0.47) KDM4EALDH1A1MAPK1MAPTNPSR1
SCHEMBL29386379 0.83 KDM4E (0.44) KDM4EALDH1A1MAPK1MAPTNPSR1
SCHEMBL10907310 0.83 KDM4E (0.46) KDM4EALDH1A1MAPK1MAPTNPSR1
SCHEMBL347184 0.83 KDM4E (0.44) KDM4EALDH1A1MAPK1MAPTNPSR1
SCHEMBL986849 0.83 KDM4E (0.49) KDM4EALDH1A1MAPK1MAPTNPSR1
SCHEMBL18544203 0.82 KDM4E (0.44) KDM4EALDH1A1MAPK1NPSR1SMN1; SMN2
SCHEMBL7456145 0.82 THRA (0.54) KDM4EMAPK1MAPTNPSR1SMN1; SMN2
SCHEMBL10908205 0.82 KDM4E (0.46) KDM4EALDH1A1MAPK1MAPTNPSR1

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-1969097-A1 STABILIZED BIODIESEL FUEL COMPOSITIONS Ciba Specialty Chemicals Holding Inc. (CH) 2008-09-17 EP disclosed
WO-2007077165-A1 STABILIZED BIODIESEL FUEL COMPOSITIONS CIBA HOLDING INC. (CH) 2007-07-12 WO disclosed