SCHEMBL4644595

SCHEMBL4644595

C[CH]C(=O)OC(=O)COCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.44
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 2/20 0.43
HCAR2 Q8TDS4 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
GRM5 P41594 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
FAAH O00519 2/20 0.39
RAB9A P51151 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A3 Q01959 1/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
CA12 O43570 1/20 0.38
AKR1B10 O60218 1/20 0.38
AKR1B1 P15121 1/20 0.38
CA4 P22748 1/20 0.38

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
SCHEMBL4646684 0.84 MAPT (0.44) MAPTTSHRALDH1A1NPC1HCAR2
SCHEMBL11632800 0.84 TSHR (0.56) MAPTTSHRALDH1A1NPC1MAPK1
SCHEMBL4642504 0.82 MAPT (0.42) MAPTTSHRALDH1A1NPC1HCAR2
SCHEMBL4643567 0.81 ALDH1A1 (0.56) MAPTTSHRALDH1A1NPC1MAPK1
SCHEMBL9422962 0.81 TSHR (0.48) MAPTTSHRALDH1A1NPC1MAPK1
SCHEMBL6893701 0.80 MAPT (0.48) MAPTTSHRALDH1A1NPC1HCAR2
SCHEMBL4641553 0.80 TSHR (0.53) TSHRALDH1A1MAPK1L3MBTL1LMNA
SCHEMBL4643563 0.78 TSHR (0.48) MAPTTSHRALDH1A1NPC1MAPK1
SCHEMBL1171919 0.78 TSHR (0.52) MAPTTSHRALDH1A1NPC1MAPK1
SCHEMBL4645267 0.77 ALOX15 (0.53) MAPTALDH1A1NPC1SMN1; SMN2RAB9A

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