SCHEMBL14199719

SCHEMBL14199719

CCC(C)(C)C(OCCO)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
RECQL P46063 1/20 0.46
LMNA P02545 2/20 0.35
CYP2D6 P10635 3/20 0.35
GAA P10253 3/20 0.34
LTA4H P09960 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34
CYP3A4 P08684 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
KCNH2 Q12809 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CHRNB2 P17787 1/20 0.33

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
SCHEMBL14199721 0.80 TSHR (0.36) ALDH1A1RECQLGAAMEN1KMT2A
SCHEMBL15384200 0.74 GAA (0.38) ALDH1A1RECQLGAAKDM4EL3MBTL1
SCHEMBL14199718 0.73 ALDH1A1 (0.43) ALDH1A1RECQLLMNACYP2D6GAA
SCHEMBL25723218 0.73 LMNA (0.46) ALDH1A1RECQLLMNACYP2D6LTA4H
SCHEMBL9440336 0.73 ALDH1A1 (0.50) ALDH1A1RECQLLMNACYP2D6GAA
SCHEMBL29193944 0.71 SLC6A4 (0.36) LMNACYP2D6LTA4HKDM4ENPSR1
SCHEMBL25825906 0.71 LMNA (0.42) LMNACYP2D6LTA4HKDM4EL3MBTL1
SCHEMBL6421630 0.70 LMNA (0.43) ALDH1A1RECQLLMNACYP2D6LTA4H
SCHEMBL13990822 0.69 LTA4H (0.38) ALDH1A1LMNACYP2D6LTA4HSLC6A4
SCHEMBL1412775 0.69 ALDH1A1 (0.50) ALDH1A1RECQLLMNACYP2D6GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096134-A1 POSITIVE RESIST COMPOSITION AND PATTERN FORMING METHOD USING THE SAME FUJIFILM CORPORATION (JP) 2008-04-24 US disclosed