SCHEMBL4642129

SCHEMBL4642129

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

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.46
TSHR P16473 1/20 0.39
MAOB P27338 2/20 0.38
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 1/20 0.37
PAM P19021 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TOP1 P11387 1/20 0.36
KMT2A Q03164 1/20 0.36
PTGS2 P35354 1/20 0.36
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL27384314 0.85 MAOB (0.50) ALDH1A1TSHRMAOBMAPK1L3MBTL1
SCHEMBL4642099 0.83 ALDH1A1 (0.43) ALDH1A1TSHRMAOBMAPK1L3MBTL1
SCHEMBL4643655 0.81 TOP1 (0.45) ALDH1A1TSHRMAPK1TDP1LMNA
SCHEMBL17667746 0.77 HSD11B1 (0.42) ALDH1A1MAOBL3MBTL1LMNASMN1; SMN2
SCHEMBL248114 0.76 TSHR (0.58) ALDH1A1TSHRMAPK1L3MBTL1LMNA
SCHEMBL675742 0.75 AKR1B1 (0.50) MAOBMAPK1TDP1PAMSMN1; SMN2
SCHEMBL4645707 0.75 ALDH1A1 (0.48) ALDH1A1TSHRMAOBLMNASMN1; SMN2
Acetic Acid SCHEMBL28845782 0.74 TSHR (0.56) ALDH1A1TSHRMAPK1L3MBTL1LMNA
Ethane SCHEMBL10952941 0.74 TSHR (0.56) ALDH1A1TSHRMAPK1L3MBTL1LMNA
SCHEMBL466545 0.73 TDP1 (0.63) ALDH1A1MAPK1L3MBTL1TDP1SMN1; SMN2

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