SCHEMBL7146706

SCHEMBL7146706

C=COC(C)=O.CCCCC(=CC=C(CCO)C(=O)O)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
APEX1 P27695 3/20 0.35
FNTA P49354 2/20 0.33
FNTB P49356 2/20 0.33
THRB P10828 1/20 0.33
PGGT1B P53609 1/20 0.33
PTGES O14684 1/20 0.31
ALOX5 P09917 1/20 0.31
PPARG P37231 1/20 0.31
CES1 P23141 1/20 0.31
TSHR P16473 2/20 0.30
HPGD P15428 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL7037735 0.84 CES1 (0.41) APEX1FNTAFNTBTHRBPGGT1B
SCHEMBL30537819 0.82 APEX1 (0.37) APEX1FNTAFNTBTHRBPGGT1B
SCHEMBL2283786 0.82 TSHR (0.35) TSHR
SCHEMBL5176150 0.81 FNTA (0.46) FNTAFNTBTHRBPGGT1BPPARG
SCHEMBL5176148 0.81 FNTA (0.46) FNTAFNTBTHRBPGGT1BPPARG
SCHEMBL73330 0.81 GRIK1 (0.44) APEX1FNTAFNTBPTGESALOX5
SCHEMBL2991157 0.80 FNTA (0.37) FNTAFNTBTHRBPGGT1BPPARG
Valeric Acid SCHEMBL27259958 0.77 AKR1B1 (0.50) APEX1PPARGTSHRALDH1A1
1-Pentanol SCHEMBL27603975 0.77 SMN1; SMN2 (0.50) TSHRHPGDALDH1A1
SCHEMBL88045 0.77 CES1 (0.48) APEX1PPARGCES1TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0867488-B1 Ink jet print head containing a radiation curable resin layer LEXMARK INT INC (US) 2003-06-04 EP claimed
US-5907333-A Ink jet print head containing a radiation curable resin layer LEXMARK INTERNATIONAL, INC. (US) 1999-05-25 US claimed
EP-0867488-A1 Ink jet print head containing a radiation curable resin layer LEXMARK INTERNATIONAL, INC. (US) 1998-09-30 EP claimed
US-4090936-A AN EPOXIDE, ADDITION POLYMER, PHOTOINITIATOR MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1978-05-23 US claimed