SCHEMBL27676149

SCHEMBL27676149

CCCCCCCCCc1ccccc1.CCOCCOC(C)=O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.54
TSHR P16473 1/20 0.54
KCNH2 Q12809 1/20 0.47
CTSK P43235 1/20 0.46
PPARG P37231 2/20 0.46
PPARA Q07869 2/20 0.46
RARB P10826 4/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 1/20 0.46
RARA P10276 1/20 0.46
MTOR P42345 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.45
THRA P10827 1/20 0.45
THRB P10828 1/20 0.45
RXFP1 Q9HBX9 1/20 0.45

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
Methacrylic Acid SCHEMBL27512746 0.94 THRB (0.49) ALDH1A1TSHRKCNH2CTSKPPARG
Acetic Acid Butyl Ester SCHEMBL11329285 0.88 ALDH1A1 (0.55) ALDH1A1TSHRKCNH2CTSKPPARG
Acrylic Acid Methyl Ester SCHEMBL27544075 0.88 THRB (0.49) ALDH1A1TSHRCTSKPPARGPPARA
Ethyl Acetate SCHEMBL4477186 0.88 PPARG (0.53) ALDH1A1KCNH2PPARGPPARARARB
Ethyl Acetate SCHEMBL11321872 0.87 PPARG (0.52) ALDH1A1KCNH2PPARGPPARARARB
Hexane SCHEMBL28355428 0.86 LMNA (0.60) ALDH1A1TSHRCTSKMAPTLMNA
Octyl Acetate SCHEMBL4379323 0.84 ALDH1A1 (0.55) ALDH1A1TSHRCTSKPPARGLMNA
SCHEMBL5945554 0.83 LMNA (0.59) ALDH1A1MAPTLMNARXFP1
SCHEMBL10702591 0.83 LMNA (0.59) ALDH1A1MAPTLMNARXFP1
SCHEMBL1345319 0.83 LMNA (0.59) ALDH1A1MAPTLMNARXFP1

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
CN-100335930-C Optical fiber core wire adhesive and optical fiber element FURUKAWA ELECTRIC CO LTD (JP) 2007-09-05 CN claimed