SCHEMBL16009093

SCHEMBL16009093

C=C(CCCOCCCC)C(=O)O.C=C(CCc1ccccc1)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.48
HPGD P15428 2/20 0.46
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 3/20 0.44
FFAR1 O14842 2/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KMT2A Q03164 1/20 0.43
PTGES O14684 2/20 0.42
ALOX5 P09917 2/20 0.42
PPARG P37231 2/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL3764756 0.87 LMNA (0.50) HDAC3TDP1FFAR1MEN1NPC1
SCHEMBL125262 0.83 TSHR (0.45) HPGDALDH1A1MEN1KMT2ACYP3A4
SCHEMBL985177 0.82 TSHR (0.43) HPGDALDH1A1MEN1KMT2ACYP3A4
SCHEMBL30529 0.80 KEAP1 (0.61) HDAC3TDP1ALDH1A1FFAR1NPC1
SCHEMBL1572987 0.80 EPHX2 (0.46) TSHRL3MBTL1
SCHEMBL721274 0.79 EPHX2 (0.48) TDP1ALDH1A1TSHRL3MBTL1
SCHEMBL6736208 0.79 ALDH1A1 (0.53) HDAC3HPGDTDP1ALDH1A1FFAR1
SCHEMBL6273168 0.78 TSHR (0.43) TDP1ALDH1A1FFAR1MEN1KMT2A
SCHEMBL5830403 0.78 CES2 (0.46) TDP1ALDH1A1FFAR1MEN1KMT2A
Methacrylic Acid SCHEMBL16738849 0.78 TDP1 (0.45) HDAC3TDP1ALDH1A1FFAR1NPC1

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-20140287242-A1 FLUORINATED WATER-OIL REPELLENCY AGENTS ALLNEX BELGIUM, S.A. (BE) 2014-09-25 US disclosed
US-20140256854-A1 FLUORINATED WATER-OIL REPELLENCY AGENTS ALLNEX BELGIUM, S.A. (BE) 2014-09-11 US disclosed