SCHEMBL4643592

SCHEMBL4643592

O=C(CCl)C(=O)C(Cl)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42
MAPK1 P28482 2/20 0.42
TRPA1 O75762 1/20 0.42
GSK3B P49841 1/20 0.42
HIF1A Q16665 1/20 0.42
HTT P42858 2/20 0.41
NCOA1 Q15788 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
LMNA P02545 3/20 0.40
CYP2D6 P10635 1/20 0.40
SRC P12931 1/20 0.40
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL4644194 0.85 LMNA (0.41) ALDH1A1CES2CES1MAPK1TRPA1
SCHEMBL4647061 0.84 CES2 (0.42) ALDH1A1CES2CES1MAPK1LMNA
SCHEMBL4645376 0.82 SMN1; SMN2 (0.39) ALDH1A1CES2CES1MAPK1SMN1; SMN2
SCHEMBL4641484 0.82 TDP1 (0.47) ALDH1A1CES2CES1MAPK1TRPA1
SCHEMBL4645492 0.81 MEN1 (0.41) CES2CES1MAPK1LMNACYP2D6
SCHEMBL4646119 0.80 SMN1; SMN2 (0.38) CES2CES1SMN1; SMN2LMNACYP2D6
SCHEMBL5050305 0.79 CES2 (0.48) ALDH1A1CES2CES1MAPK1LMNA
SCHEMBL4644366 0.78 CES2 (0.67) ALDH1A1CES2CES1MAPK1TRPA1
SCHEMBL4641491 0.78 MEN1 (0.39) ALDH1A1CES2CES1MAPK1LMNA
SCHEMBL27619985 0.77 CES2 (0.36) CES2CES1MAPK1LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100519671-C Film-forming polymer and antifouling paint JOTUN AS (NO) 2009-07-29 CN disclosed
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
CN-1643085-A Film-forming polymer and antifouling paint JOTUN AS (NO) 2005-07-20 CN disclosed
EP-1487928-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT Jotun AS (NO) 2004-12-22 EP disclosed
WO-2003080747-A1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2003-10-02 WO disclosed