SCHEMBL4643705

SCHEMBL4643705

O=C(CCCCl)C(=O)C(Cl)(c1ccccc1)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.50
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
CES2 O00748 3/20 0.35
CES1 P23141 3/20 0.35
TSHR P16473 1/20 0.34
HIF1A Q16665 2/20 0.34
CYP2C19 P33261 1/20 0.34
KIF11 P52732 4/20 0.33
ALDH1A1 P00352 3/20 0.33
HDAC3 O15379 2/20 0.33
HDAC4 P56524 2/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC7 Q8WUI4 2/20 0.33
HDAC2 Q92769 2/20 0.33
HDAC10 Q969S8 2/20 0.33
HDAC11 Q96DB2 2/20 0.33
HDAC8 Q9BY41 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC9 Q9UKV0 2/20 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
SCHEMBL4641546 0.95 CYP1A2 (0.48) CYP1A2CNR1CNR2CES2CES1
SCHEMBL4641503 0.89 CYP1A2 (0.53) CYP1A2CNR1CNR2CES2CES1
SCHEMBL4641343 0.86 CYP1A2 (0.50) CYP1A2CNR1CNR2CES2CES1
SCHEMBL4642053 0.85 CYP1A2 (0.48) CYP1A2CNR1CNR2CES2CES1
SCHEMBL4644154 0.84 KCNN4 (0.39) CYP1A2CES2CES1HIF1ACYP2C19
SCHEMBL4641405 0.82 CYP1A2 (0.53) CYP1A2CNR1CNR2CES2CES1
SCHEMBL4642170 0.82 CYP1A2 (0.57) CYP1A2CNR1CNR2CES2CES1
SCHEMBL4644398 0.79 KCNN4 (0.38) CYP1A2CES2CES1HIF1ACYP2C19
SCHEMBL4644213 0.78 CYP1A2 (0.57) CYP1A2CNR1CNR2CES2CES1
SCHEMBL22616416 0.73 CYP1A2 (0.67) CYP1A2CNR1CNR2CES1TSHR

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