SCHEMBL4641546

SCHEMBL4641546

O=C(CCCCCl)C(=O)C(Cl)(c1ccccc1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.48
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38
CES2 O00748 3/20 0.37
CES1 P23141 3/20 0.37
HDAC1 Q13547 5/20 0.36
HDAC2 Q92769 5/20 0.36
HDAC3 O15379 4/20 0.36
HDAC4 P56524 4/20 0.36
HDAC7 Q8WUI4 4/20 0.36
HDAC10 Q969S8 4/20 0.36
HDAC11 Q96DB2 4/20 0.36
HDAC8 Q9BY41 4/20 0.36
HDAC6 Q9UBN7 4/20 0.36
HDAC9 Q9UKV0 4/20 0.36
HDAC5 Q9UQL6 4/20 0.36
L3MBTL1 Q9Y468 2/20 0.35
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL4643705 0.95 CYP1A2 (0.50) CYP1A2CNR1CNR2CES2CES1
SCHEMBL4641503 0.88 CYP1A2 (0.53) CYP1A2CNR1CNR2CES2CES1
SCHEMBL4642053 0.87 CYP1A2 (0.48) CYP1A2CNR1CNR2CES2CES1
SCHEMBL4641343 0.85 CYP1A2 (0.50) CYP1A2CNR1CNR2CES2CES1
SCHEMBL4644398 0.85 KCNN4 (0.38) CYP1A2CES2CES1HDAC1HDAC2
SCHEMBL4641405 0.81 CYP1A2 (0.53) CYP1A2CNR1CNR2CES2CES1
SCHEMBL4642170 0.80 CYP1A2 (0.57) CYP1A2CNR1CNR2CES2CES1
SCHEMBL4644154 0.79 KCNN4 (0.39) CYP1A2CES2CES1HDAC1HDAC2
SCHEMBL4644213 0.77 CYP1A2 (0.57) CYP1A2CNR1CNR2CES2CES1
SCHEMBL11598693 0.74 HDAC1 (0.42) CYP1A2CES1HDAC1HDAC2HDAC3

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