SCHEMBL4644624

SCHEMBL4644624

COC(=O)C=CC(=O)OCC(Br)CCC(=O)OC(=O)Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
HCAR2 Q8TDS4 2/20 0.37
LMNA P02545 3/20 0.37
ALDH1A1 P00352 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPT P10636 3/20 0.36
PAM P19021 1/20 0.36
CTSL P07711 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.33
MDM4 O15151 1/20 0.33
MDM2 Q00987 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
SCHEMBL4642028 0.91 MAPT (0.44) TSHRADRB2ADRB1ADRB3HCAR2
SCHEMBL4645129 0.82 HCAR2 (0.48) TSHRHCAR2LMNAALDH1A1KDM4E
SCHEMBL4648063 0.82 HCAR2 (0.48) TSHRHCAR2LMNAALDH1A1KDM4E
SCHEMBL4645111 0.82 HCAR2 (0.48) TSHRHCAR2LMNAALDH1A1KDM4E
SCHEMBL4643237 0.81 TSHR (0.43) TSHRADRB2ADRB1ADRB3HCAR2
SCHEMBL4644615 0.81 TSHR (0.43) TSHRADRB2ADRB1ADRB3HCAR2
SCHEMBL4647801 0.80 HCAR2 (0.46) TSHRHCAR2LMNAALDH1A1KDM4E
SCHEMBL4644589 0.80 HCAR2 (0.46) TSHRHCAR2LMNAALDH1A1KDM4E
SCHEMBL4644581 0.80 HCAR2 (0.46) TSHRHCAR2LMNAALDH1A1KDM4E
SCHEMBL4647774 0.79 MAPT (0.49) TSHRHCAR2LMNAALDH1A1KDM4E

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