SCHEMBL4644608

SCHEMBL4644608

CCC(COC(=O)/C=C/C(=O)OC)C(=O)OC(=O)Cc1ccccc1Br

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.39
TSHR P16473 1/20 0.36
ALDH1A1 P00352 4/20 0.34
MAPT P10636 4/20 0.33
LMNA P02545 2/20 0.33
MDM2 Q00987 2/20 0.33
MDM4 O15151 1/20 0.33
RIPK1 Q13546 1/20 0.33
STAT3 P40763 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
PKM P14618 1/20 0.32
RAB9A P51151 1/20 0.32
HPGD P15428 1/20 0.32
MEN1 O00255 1/20 0.32

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
SCHEMBL4645125 1.00 EPHX2 (0.39) EPHX2TSHRALDH1A1MAPTLMNA
SCHEMBL4642013 0.92 EPHX2 (0.41) EPHX2ALDH1A1MAPTLMNAMDM2
SCHEMBL4644590 0.92 EPHX2 (0.41) EPHX2ALDH1A1MAPTLMNAMDM2
SCHEMBL4645130 0.76 ALDH1A1 (0.35) TSHRALDH1A1MAPTRIPK1HTT
SCHEMBL4644613 0.76 ALDH1A1 (0.35) TSHRALDH1A1MAPTRIPK1HTT
SCHEMBL31042998 0.70 KMT2A (0.51) TSHRALDH1A1MAPTRIPK1KMT2A
SCHEMBL965852 0.70 KMT2A (0.51) TSHRALDH1A1MAPTRIPK1KMT2A
SCHEMBL4644615 0.70 TSHR (0.43) TSHRALDH1A1MAPTLMNAMDM2
SCHEMBL4643237 0.70 TSHR (0.43) TSHRALDH1A1MAPTLMNAMDM2
SCHEMBL4643647 0.70 RIPK1 (0.38) TSHRALDH1A1MAPTRIPK1CYP2C19

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