SCHEMBL4647622

SCHEMBL4647622

O=C(CCCCCl)C(=O)C(Br)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 4/20 0.57
CES1 P23141 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 1/20 0.36
ALDH1A1 P00352 4/20 0.36
HTT P42858 1/20 0.36
NCOA1 Q15788 1/20 0.36
NCOA3 Q9Y6Q9 1/20 0.36
LMNA P02545 5/20 0.35
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL4647280 0.95 CES2 (0.58) CES2CES1SMN1; SMN2POLBALDH1A1
SCHEMBL27601450 0.88 CES2 (0.62) CES2CES1SMN1; SMN2POLBALDH1A1
SCHEMBL4646377 0.85 CES2 (0.58) CES2CES1ALDH1A1LMNAL3MBTL1
SCHEMBL27620008 0.84 CES2 (0.57) CES2CES1SMN1; SMN2ALDH1A1HTT
SCHEMBL4644176 0.83 CES2 (0.60) CES2CES1ALDH1A1LMNAMAPT
SCHEMBL4641545 0.83 TDP1 (0.40) CES2CES1SMN1; SMN2POLBALDH1A1
SCHEMBL4646119 0.82 SMN1; SMN2 (0.38) CES2CES1SMN1; SMN2POLBLMNA
SCHEMBL4644366 0.81 CES2 (0.67) CES2CES1SMN1; SMN2POLBALDH1A1
SCHEMBL4642828 0.80 CES2 (0.64) CES2CES1SMN1; SMN2LMNAL3MBTL1
SCHEMBL4643780 0.78 TDP1 (0.41) CES2CES1SMN1; SMN2POLBALDH1A1

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