SCHEMBL1622643

SCHEMBL1622643

CC(=CCC(=O)O)C(=O)O.[Zn]

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.41
CYP2D6 P10635 1/20 0.41
ALOX15 P16050 1/20 0.41
PTGS1 P23219 1/20 0.33
AKR1C3 P42330 1/20 0.33
CD81 P60033 1/20 0.33
GRIK2 Q13002 1/20 0.33
LMNA P02545 1/20 0.32
SLC15A2 Q16348 1/20 0.32
FFAR3 O14843 2/20 0.32
TSHR P16473 1/20 0.32
NR1H3 Q13133 1/20 0.32
TRPA1 O75762 1/20 0.30
LCK P06239 1/20 0.30
FYN P06241 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
SCHEMBL7138870 0.97 ALDH1A1 (0.43) ALDH1A1CYP2D6ALOX15PTGS1AKR1C3
SCHEMBL2727259 0.97 ALDH1A1 (0.43) ALDH1A1CYP2D6ALOX15PTGS1AKR1C3
SCHEMBL275071 0.97 ALDH1A1 (0.43) ALDH1A1CYP2D6ALOX15PTGS1AKR1C3
SCHEMBL1621314 0.95 ALDH1A1 (0.41) ALDH1A1CYP2D6ALOX15PTGS1AKR1C3
SCHEMBL1623651 0.95 ALDH1A1 (0.41) ALDH1A1CYP2D6ALOX15PTGS1AKR1C3
Methacrylic Acid SCHEMBL30704265 0.88 ALOX15 (0.36) ALDH1A1CYP2D6ALOX15PTGS1AKR1C3
SCHEMBL11024924 0.86 ALDH1A1 (0.47) ALDH1A1CYP2D6ALOX15LMNASLC15A2
SCHEMBL474842 0.81 TRPA1 (0.38) ALDH1A1CYP2D6ALOX15PTGS1AKR1C3
SCHEMBL474840 0.81 TRPA1 (0.38) ALDH1A1CYP2D6ALOX15PTGS1AKR1C3
Acetone SCHEMBL5520081 0.79 TRPA1 (0.36) ALDH1A1PTGS1AKR1C3CD81LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7928175-B2 Antifouling paint composition MITSUBISHI RAYON CO., LTD. (JP) 2011-04-19 US disclosed
US-7553481-B2 Underwater antifouling coating composition with excellent storage stability API CORPORATION (JP) 2009-06-30 US disclosed
US-20060258772-A1 Antifouling paint composition MITSUBISHI RAYON CO. LTD. (JP) 2006-11-16 US disclosed