SCHEMBL824536

SCHEMBL824536

CCCCC(=O)Oc1ccc(CCO)cc1C(C)c1cc(CCO)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.47
IAPP P10997 1/20 0.43
CYP3A4 P08684 6/20 0.40
CYP2C8 P10632 5/20 0.40
CYP2C9 P11712 5/20 0.40
CYP2B6 P20813 5/20 0.40
CYP2C19 P33261 5/20 0.40
CYP1A2 P05177 4/20 0.40
LTA4H P09960 5/20 0.40
HTR1A P08908 5/20 0.40
TRPV1 Q8NER1 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2A6 P11509 3/20 0.40
CYP2E1 P05181 2/20 0.40
ALOX5 P09917 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
RECQL P46063 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
SCHEMBL843980 0.82 ADRB2 (0.38) ALOX15IAPPALOX5KDM4E
SCHEMBL824495 0.80 THRB (0.40) CYP3A4LTA4HALOX5KDM4E
SCHEMBL824511 0.77 ALOX15 (0.47) ALOX15CYP3A4CYP2C8CYP2C9CYP2B6
SCHEMBL824480 0.76 ALOX15 (0.40) ALOX15CYP3A4CYP2D6KDM4EMEN1
SCHEMBL51630 0.75 NPC1 (0.52) ALOX15IAPPCYP3A4KDM4E
SCHEMBL15548241 0.73 ALOX15 (0.68) ALOX15IAPPLTA4HTRPV1KDM4E
SCHEMBL51014 0.72 CNR1 (0.60) ALOX15IAPPCYP3A4CYP2C9CYP2C19
SCHEMBL15548000 0.72 ALOX15 (0.70) ALOX15CYP3A4CYP2C8CYP2C9CYP2B6
SCHEMBL9586607 0.71 ALOX15 (0.49) ALOX15IAPPCYP3A4CYP2C8CYP2C9
SCHEMBL15559062 0.71 ALOX15 (0.65) ALOX15CYP3A4CYP2C8CYP2C9CYP2B6

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