SCHEMBL4644802

SCHEMBL4644802

O=C(CCl)C(=O)Cc1ccc(Cl)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.49
ERBB2 P04626 1/20 0.49
RAB9A P51151 3/20 0.48
NPC1 O15118 2/20 0.48
CTBP2 P56545 1/20 0.48
GSK3B P49841 1/20 0.48
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
L3MBTL1 Q9Y468 3/20 0.47
ALDH1A1 P00352 2/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 1/20 0.47
PIK3CA P42336 2/20 0.46
MAPT P10636 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CNR2 P34972 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46

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
SCHEMBL4645506 0.83 EGFR (0.46) EGFRERBB2RAB9ANPC1CTBP2
SCHEMBL4647085 0.83 LMNA (0.52) EGFRERBB2RAB9ANPC1CTBP2
SCHEMBL4642049 0.81 GAA (0.48) EGFRERBB2RAB9ACTBP2CES2
SCHEMBL4645400 0.80 L3MBTL1 (0.44) EGFRERBB2RAB9ANPC1CTBP2
SCHEMBL2251562 0.80 RAB9A (0.50) EGFRERBB2RAB9ANPC1CTBP2
SCHEMBL4646048 0.80 CES1 (0.77) RAB9ANPC1CTBP2GSK3BCES2
SCHEMBL2456763 0.80 CTBP2 (0.60) EGFRERBB2RAB9ANPC1CTBP2
SCHEMBL4646613 0.79 EGFR (0.46) EGFRERBB2RAB9ANPC1CTBP2
SCHEMBL4644594 0.79 HDAC3 (0.44) EGFRERBB2RAB9ANPC1CTBP2
SCHEMBL1512090 0.78 CYP2C9 (0.52) EGFRERBB2RAB9ANPC1CTBP2

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
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP 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