SCHEMBL4644585

SCHEMBL4644585

CCC(OC(=O)C=CC(=O)OC)(C(=O)OC(C)=O)C(=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 1/20 0.40
CES1 P23141 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
PRSS1 P07477 3/20 0.34
CTSG P08311 3/20 0.34
CTRB1 P17538 3/20 0.34
CMA1 P23946 3/20 0.34
MAPT P10636 3/20 0.34
ALDH1A1 P00352 2/20 0.34
HTT P42858 2/20 0.34
AKT1 P31749 2/20 0.33
TSHR P16473 1/20 0.33
PARP1 P09874 1/20 0.33
PARP15 Q460N3 1/20 0.33
PARP14 Q460N5 1/20 0.33
PARP10 Q53GL7 1/20 0.33
MAPK1 P28482 1/20 0.33
CTNNB1 P35222 1/20 0.33
MDM4 O15151 1/20 0.33
LMNA P02545 1/20 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
SCHEMBL4641582 0.91 SRC (0.39) SRCCES1NR1H4PRSS1CTSG
SCHEMBL4642731 0.89 MAPT (0.43) MAPTALDH1A1MAPK1MDM4LMNA
SCHEMBL4642058 0.83 CES1 (0.35) CES1CTRB1MAPTALDH1A1HTT
SCHEMBL4645122 0.81 SRC (0.43) SRCCES1NR1H4PRSS1CTSG
SCHEMBL4643974 0.80 HCAR2 (0.41) MAPTALDH1A1TSHR
SCHEMBL4644058 0.80 MAPT (0.42) MAPTALDH1A1MAPK1MDM4LMNA
SCHEMBL4644617 0.75 KMT2A (0.34) MAPTALDH1A1HTTCYP1A2CYP2C19
SCHEMBL4643871 0.73 MAPT (0.47) MAPTALDH1A1MAPK1MDM4LMNA
SCHEMBL28189546 0.71 SRC (0.57) SRCCES1PRSS1CTSGCTRB1
SCHEMBL4645849 0.71 HCAR2 (0.41) MAPTALDH1A1HTTMAPK1MDM4

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