SCHEMBL4645707

SCHEMBL4645707

CC(=O)OC(=O)[CH]Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
PTGS2 P35354 1/20 0.41
MAOB P27338 2/20 0.40
HCAR2 Q8TDS4 2/20 0.40
LMNA P02545 2/20 0.39
CYP2C19 P33261 1/20 0.38
TOP1 P11387 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
AKR1B1 P15121 1/20 0.38
TSHR P16473 2/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
GAA P10253 1/20 0.36

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
SCHEMBL294028 0.81 MAOB (0.43) ALDH1A1MAOBHCAR2LMNACYP2C19
SCHEMBL3244969 0.78 ALDH1A1 (0.48) ALDH1A1MAOBLMNACYP2C19TOP1
SCHEMBL290693 0.78 MAPT (0.51) ALDH1A1HCAR2LMNATSHRSMN1; SMN2
SCHEMBL4428498 0.76 TSHR (0.56) ALDH1A1MAOBHCAR2AKR1B1TSHR
SCHEMBL1880595 0.76 CA12 (0.44) ALDH1A1MAOBHCAR2CYP2C19CYP2C9
SCHEMBL4065633 0.76 HCAR2 (0.62) ALDH1A1HCAR2LMNAAKR1B1SMN1; SMN2
SCHEMBL4642129 0.75 ALDH1A1 (0.46) ALDH1A1PTGS2MAOBLMNATOP1
SCHEMBL28670520 0.75 CES1 (0.42) ALDH1A1MAOBCYP2C19CES1
SCHEMBL3408806 0.75 MAOB (0.44) ALDH1A1MAOBLMNACYP2C19TOP1
SCHEMBL9540535 0.74 MAOB (0.48) ALDH1A1MAOBLMNACYP2C19TOP1

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