SCHEMBL8457640

SCHEMBL8457640

CCCC(=O)OCOC(=O)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.48
MAPT P10636 1/20 0.41
DGKA P23743 1/20 0.39
LMNA P02545 5/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
PAM P19021 2/20 0.35
KDM4E B2RXH2 1/20 0.35
DUSP3 P51452 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ALOX15 P16050 1/20 0.35
FFAR3 O14843 1/20 0.35
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 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
SCHEMBL2618716 0.85 ALDH1A1 (0.63) ALDH1A1MAPTDGKALMNACYP3A4
SCHEMBL3906803 0.84 CYP1A2 (0.47) ALDH1A1MAPTDGKATSHRKDM4E
SCHEMBL13868503 0.84 DGKA (0.52) ALDH1A1MAPTDGKALMNACYP3A4
SCHEMBL15113660 0.84 MAPT (0.62) ALDH1A1MAPTDGKALMNATSHR
SCHEMBL15113661 0.84 MAPT (0.62) ALDH1A1MAPTDGKALMNATSHR
SCHEMBL15113662 0.84 MAPT (0.62) ALDH1A1MAPTDGKALMNATSHR
SCHEMBL15113664 0.84 MAPT (0.62) ALDH1A1MAPTDGKALMNATSHR
SCHEMBL15113659 0.84 MAPT (0.62) ALDH1A1MAPTDGKALMNATSHR
SCHEMBL15113667 0.84 MAPT (0.62) ALDH1A1MAPTDGKALMNATSHR
SCHEMBL15113663 0.84 MAPT (0.62) ALDH1A1MAPTDGKALMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5962523-A Methods of using butyric acid derivatives to protect against hair loss DISCOVERY LABORATORIES, INC. (US) 1999-10-05 US claimed
EP-0793488-A4 1997-09-10 EP claimed
EP-0793488-A1 INCREASING FETAL HEMOGLOBIN LEVELS USING CARBOXYLIC ESTERS Rephaeli, Ada (US) 1997-09-10 EP claimed
US-5569675-A ADMINISTERING TO TREAT BLOOD DISORDERS BAR ILAN UNIVERSITY (IL) 1996-10-29 US claimed
WO-1995024189-A1 INCREASING FETAL HEMOGLOBIN LEVELS USING CARBOXYLIC ESTERS REPHAELI ADA (US) 1995-09-14 WO claimed
US-5962523-A Methods of using butyric acid derivatives to protect against hair loss DISCOVERY LABORATORIES, INC. (US) 1999-10-05 US disclosed
EP-0793488-A4 1997-09-10 EP disclosed
EP-0793488-A1 INCREASING FETAL HEMOGLOBIN LEVELS USING CARBOXYLIC ESTERS Rephaeli, Ada (US) 1997-09-10 EP disclosed
US-5569675-A ADMINISTERING TO TREAT BLOOD DISORDERS BAR ILAN UNIVERSITY (IL) 1996-10-29 US disclosed
WO-1995024189-A1 INCREASING FETAL HEMOGLOBIN LEVELS USING CARBOXYLIC ESTERS REPHAELI ADA (US) 1995-09-14 WO disclosed