SCHEMBL6555629

SCHEMBL6555629

CCC[CH]C(=O)OC(=O)C(OC)(OC)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.46
KCNN4 O15554 1/20 0.39
CYP2C19 P33261 4/20 0.34
CYP1A2 P05177 3/20 0.34
CYP3A4 P08684 3/20 0.34
CYP2D6 P10635 3/20 0.34
CYP2C9 P11712 3/20 0.34
LMNA P02545 3/20 0.34
SCN1A P35498 3/20 0.34
SCN2A Q99250 3/20 0.34
SCN3A Q9NY46 3/20 0.34
TSHR P16473 2/20 0.34
NFKB1 P19838 1/20 0.34
MTOR P42345 1/20 0.34
RAB9A P51151 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
CHRM2 P08172 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
MEN1 O00255 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
SCHEMBL27916287 0.73 CES1 (0.56) CES1KCNN4TSHRCHRM2CHRM1
SCHEMBL5580542 0.72 CES1 (0.69) CES1KCNN4CYP2C19CYP1A2TSHR
SCHEMBL4645735 0.72 LMNA (0.51) CES1CYP2C19CYP1A2CYP3A4CYP2D6
SCHEMBL4644541 0.71
SCHEMBL4641514 0.70 TSHR (0.47) CES1LMNATSHRMEN1KMT2A
SCHEMBL6247098 0.70 ZDHHC2 (0.48) RAB9AMEN1KMT2AL3MBTL1
SCHEMBL1053505 0.70 CES1 (0.59) CES1KCNN4CYP2C19CYP1A2CYP2D6
SCHEMBL3947437 0.70 CES1 (0.59) CES1KCNN4CYP2C19CYP1A2CYP2D6
SCHEMBL4643771 0.69 FAAH (0.34) CES1CYP1A2MEN1KMT2ABLM
SCHEMBL4644470 0.69 ALDH1A1 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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