SCHEMBL6683174

SCHEMBL6683174

CC(C(=O)O)=C(CCCO)Oc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 1/20 0.39
ELANE P08246 1/20 0.38
ALDH1A1 P00352 3/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
MAPT P10636 2/20 0.37
KMT2A Q03164 2/20 0.37
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
HSP90AA1 P07900 1/20 0.36
GAA P10253 1/20 0.36
RECQL P46063 1/20 0.35
ATM Q13315 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
MEN1 O00255 1/20 0.35
ALPL P05186 1/20 0.35
ALPI P09923 1/20 0.35
ALPG P10696 1/20 0.35

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
SCHEMBL15648200 0.87 MEN1 (0.44) L3MBTL1KMT2AGAARECQLATM
SCHEMBL7217885 0.84 THRB (0.47) KMT2ATDP1MEN1
SCHEMBL3406771 0.84 THRB (0.47) KMT2ATDP1MEN1
SCHEMBL578949 0.84 THRB (0.47) KMT2ATDP1MEN1
SCHEMBL7520648 0.83 CES2 (0.41) ELANEALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL7520639 0.83 CES2 (0.41) ELANEALDH1A1L3MBTL1MAPTKMT2A
SCHEMBL15254 0.80 ELANE (0.45) ELANEALDH1A1L3MBTL1MAPTMTNR1A
SCHEMBL440972 0.80 ELANE (0.45) ELANEALDH1A1L3MBTL1MAPTMTNR1A
Benzene SCHEMBL27375213 0.80 ELANE (0.45) ELANEALDH1A1L3MBTL1MAPTMTNR1A
SCHEMBL15313245 0.78 SMN1; SMN2 (0.44) ELANEALDH1A1L3MBTL1MAPTKMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0847050-B1 Optical recording medium MITSUBISHI CHEM CORP (JP) 2004-11-17 EP claimed
EP-0652555-B1 Optical recording medium MITSUI CHEMICALS INC (JP) 2000-07-12 EP disclosed
US-5573831-A ULTRAVIOLET RADIATION CURABLE INK MITSUI TOATSU CHEMICALS, INC. (JP) 1996-11-12 US disclosed
EP-0652555-A2 Optical recording medium MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-05-10 EP disclosed