SCHEMBL14199718

SCHEMBL14199718

CCC(C)C(OCCO)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
RECQL P46063 1/20 0.43
GAA P10253 1/20 0.37
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
TRPA1 O75762 1/20 0.34
CYP2D6 P10635 3/20 0.34
CYP3A4 P08684 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
KCNH2 Q12809 2/20 0.34
CHRM2 P08172 2/20 0.33
CHRM4 P08173 2/20 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
SCHEMBL9440336 0.78 ALDH1A1 (0.50) ALDH1A1RECQLGAAMTNR1AMTNR1B
SCHEMBL14734655 0.75 ALDH1A1 (0.44) ALDH1A1RECQLGAAMTNR1AMTNR1B
SCHEMBL14199719 0.73 ALDH1A1 (0.46) ALDH1A1RECQLGAALMNAPPARA
SCHEMBL5649989 0.71 LMNA (0.41) ALDH1A1GAAMTNR1AMTNR1BLMNA
SCHEMBL1412775 0.70 ALDH1A1 (0.50) ALDH1A1RECQLGAAMTNR1AMTNR1B
Di(Hydroxyethyl)Ether SCHEMBL6560427 0.70 ALDH1A1 (0.50) ALDH1A1RECQLGAAMTNR1AMTNR1B
Ethylene Glycol SCHEMBL6564401 0.69 ALDH1A1 (0.50) ALDH1A1RECQLGAAMTNR1AMTNR1B
SCHEMBL28431864 0.69 ALDH1A1 (0.44) ALDH1A1RECQLMTNR1AMTNR1BLMNA
Propanol SCHEMBL6407074 0.68 LMNA (0.47) ALDH1A1RECQLGAAMTNR1AMTNR1B
SCHEMBL5080655 0.68 L3MBTL1 (0.43) ALDH1A1GAAMTNR1AMTNR1BLMNA

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