SCHEMBL824508

SCHEMBL824508

CCCCCC(=O)Oc1ccc(CC)cc1C(c1cc(CC)ccc1O)C1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.48
KMT2A Q03164 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
NAAA Q02083 1/20 0.38
TOP2A P11388 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C8 P10632 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 1/20 0.37
TRPV1 Q8NER1 5/20 0.37
HPGD P15428 1/20 0.36

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
SCHEMBL10085215 0.84 PPARG (0.35) ALOX15KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL824653 0.83 NPC1 (0.37) KMT2ASMN1; SMN2MEN1TDP1CYP3A4
SCHEMBL15558617 0.74 ALOX15 (0.76) ALOX15KMT2AMEN1TOP2ACYP1A2
SCHEMBL15548956 0.73 ALOX15 (0.74) ALOX15KMT2AMEN1TOP2ACYP1A2
SCHEMBL15558637 0.73 ALOX15 (0.74) ALOX15KMT2AMEN1TOP2ACYP1A2
SCHEMBL824536 0.70 ALOX15 (0.47) ALOX15KMT2AMEN1CYP1A2CYP3A4
SCHEMBL15557511 0.70 ALOX15 (0.69) ALOX15KMT2ASMN1; SMN2MEN1TOP2A
SCHEMBL824511 0.68 ALOX15 (0.47) ALOX15TOP2ACYP1A2CYP3A4CYP2C8
SCHEMBL28349787 0.67 ALOX15 (0.53) ALOX15KMT2ASMN1; SMN2MEN1TOP2A
SCHEMBL21517451 0.66 ALOX15 (0.44) ALOX15KMT2ASMN1; SMN2MEN1ALDH1A1

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
US-8142864-B2 Cellulose ester pellets, cellulose ester film, manufacturing method of cellulose ester film, polarizing plate, and liquid crystal display KONICA MINOLTA OPTO, INC. (JP) 2012-03-27 US disclosed
US-20100047480-A1 CELLULOSE ESTER PELLETS, CELLULOSE ESTER FILM, MANUFACTURING METHOD OF CELLULOSE ESTER FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY C/O KONICA MINOLTA OPTO, INC. (JP) 2010-02-25 US disclosed