SCHEMBL4642053

SCHEMBL4642053

O=C(CCCCO)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
ESR2 Q92731 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
PLAAT3 P53816 1/20 0.33
PLAAT5 Q96KN8 1/20 0.33
PLAAT2 Q9NWW9 1/20 0.33
PLAAT4 Q9UL19 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 1/20 0.33

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
SCHEMBL4641343 0.95 CYP1A2 (0.50) CYP1A2CNR1CNR2CES2CES1
SCHEMBL4641405 0.88 CYP1A2 (0.53) CYP1A2CNR1CNR2CES2CES1
SCHEMBL4641546 0.87 CYP1A2 (0.48) CYP1A2CNR1CNR2CES2CES1
SCHEMBL4643705 0.85 CYP1A2 (0.50) CYP1A2CNR1CNR2CES2CES1
SCHEMBL4643944 0.83 KCNN4 (0.39) CYP1A2CES2CES1ESR2GPR84
SCHEMBL4641503 0.81 CYP1A2 (0.53) CYP1A2CNR1CNR2CES2CES1
SCHEMBL4644213 0.80 CYP1A2 (0.57) CYP1A2CNR1CNR2CES2CES1
SCHEMBL4645043 0.77 KCNN4 (0.40) CYP1A2CES2CES1ESR2L3MBTL1
SCHEMBL4642170 0.77 CYP1A2 (0.57) CYP1A2CNR1CNR2CES2CES1
SCHEMBL22616416 0.72 CYP1A2 (0.67) CYP1A2CNR1CNR2CES1MAPT

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