SCHEMBL4644523

SCHEMBL4644523

[CH2]CCC(=O)OC(=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
MAPK1 P28482 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
PAM P19021 1/20 0.50
TSHR P16473 1/20 0.49
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
AKR1B1 P15121 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.45
TDP1 Q9NUW8 1/20 0.43
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
PRSS1 P07477 1/20 0.42
CTSG P08311 1/20 0.42
CTRB1 P17538 1/20 0.42
CMA1 P23946 1/20 0.42
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL4641515 0.89 ALDH1A1 (0.49) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL248113 0.86 ALDH1A1 (0.65) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL4642105 0.85 TDP1 (0.61) ALDH1A1MAPK1L3MBTL1SMN1; SMN2TDP1
SCHEMBL25187337 0.85 ALDH1A1 (0.55) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL4641557 0.85 AKR1B1 (0.56) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL10575940 0.83 TDP1 (0.63) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL4647338 0.82 KMT2A (0.45) ALDH1A1L3MBTL1SMN1; SMN2TDP1KMT2A
SCHEMBL4644797 0.82 POLB (0.46) ALDH1A1L3MBTL1TSHRSMN1; SMN2TDP1
SCHEMBL2774752 0.81 ALDH1A1 (0.56) ALDH1A1MAPK1L3MBTL1PAMTSHR
SCHEMBL7703558 0.80 HDAC1 (0.58) ALDH1A1MAPK1L3MBTL1PAMTSHR

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