SCHEMBL4645036

SCHEMBL4645036

O=C(CCO)C(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 9/20 0.42
NPSR1 Q6W5P4 2/20 0.39
CYP2C19 P33261 2/20 0.38
HIF1A Q16665 1/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
KIF11 P52732 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
SCHEMBL4645043 0.89 KCNN4 (0.40) KCNN4NPSR1CYP2C19HIF1ACYP1A2
SCHEMBL4643944 0.87 KCNN4 (0.39) KCNN4NPSR1CYP2C19HIF1ACYP1A2
SCHEMBL4644192 0.83 KCNN4 (0.45) KCNN4NPSR1CYP2C19HIF1ACYP1A2
SCHEMBL4642060 0.82 KCNN4 (0.41) KCNN4NPSR1CYP2C19HIF1ACYP1A2
SCHEMBL4641405 0.81 CYP1A2 (0.53) KCNN4CYP2C19HIF1ACYP1A2CES2
SCHEMBL4644154 0.79 KCNN4 (0.39) KCNN4NPSR1CYP2C19HIF1ACYP1A2
SCHEMBL10587260 0.78 HDAC1 (0.56) CES1MAPT
SCHEMBL4644398 0.78 KCNN4 (0.38) KCNN4NPSR1CYP2C19HIF1ACYP1A2
SCHEMBL27601463 0.78 KCNN4 (0.38) KCNN4NPSR1CYP2C19HIF1ACYP1A2
SCHEMBL4644502 0.78 KCNN4 (0.44) KCNN4NPSR1CYP2C19HIF1ACYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100519671-C Film-forming polymer and antifouling paint JOTUN AS (NO) 2009-07-29 CN disclosed
EP-1487928-B1 FILM-FORMING POLYMER AND ANTIFOULING PAINT JOTUN AS (NO) 2008-08-13 EP disclosed
CN-1643085-A Film-forming polymer and antifouling paint JOTUN AS (NO) 2005-07-20 CN 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