SCHEMBL7112245

SCHEMBL7112245

CCC(=O)CC(=O)[O-].CCCCO[Al+]OCCCC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
ALDH1A1 P00352 1/20 0.35
EPHX1 P07099 1/20 0.34
ATM Q13315 1/20 0.33
NAAA Q02083 1/20 0.32
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
ACHE P22303 1/20 0.32
FFAR3 O14843 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA4 P22748 1/20 0.31
FAAH O00519 1/20 0.31
HAO1 Q9UJM8 1/20 0.31

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
SCHEMBL17106112 0.89 FFAR3 (0.33) CA1FFAR3HDAC3HDAC1HDAC2
SCHEMBL542929 0.88 CA1 (0.39) CA1ALDH1A1EPHX1ATMFFAR3
SCHEMBL17106067 0.81 CA1 (0.44) CA1EPHX1FFAR3HDAC3HDAC1
Acetic Acid SCHEMBL11809005 0.81 ALDH1A1 (0.48) CA1ALDH1A1EPHX1ATMHPGD
SCHEMBL8704732 0.80 ALDH1A1 (0.41) CA1ALDH1A1EPHX1ATMNAAA
SCHEMBL27641659 0.80 CA1 (0.38) CA1ALDH1A1ATMNAAAHPGD
SCHEMBL17106140 0.79 HAO1 (0.47) CA1CES2CES1HAO1
SCHEMBL17106082 0.79 CA1 (0.36) CA1ALDH1A1ATMNAAAHPGD
SCHEMBL7113620 0.79 CA1 (0.36) CA1ALDH1A1ATMNAAAHPGD
SCHEMBL17105995 0.79 CA1 (0.36) CA1ALDH1A1EPHX1ATMNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5800956-A Electrophotographic photoreceptor with specific interlayer KONICA CORPORATION (JP) 1998-09-01 US claimed
EP-0763782-B1 Electrophotographic photoreceptor KONISHIROKU PHOTO IND (JP) 2003-03-26 EP disclosed
EP-0725316-B1 Electrophotographic photoreceptor KONISHIROKU PHOTO IND (JP) 1999-06-30 EP disclosed
US-5846679-A Electrophotographic photoreceptor KONICA CORPORATION (JP) 1998-12-08 US disclosed
US-5800956-A Electrophotographic photoreceptor with specific interlayer KONICA CORPORATION (JP) 1998-09-01 US disclosed
EP-0671663-B1 Electrophotographic photoreceptor KONISHIROKU PHOTO IND (JP) 1998-08-12 EP disclosed
EP-0763782-A1 Electrophotographic photoreceptor KONICA CORPORATION (JP) 1997-03-19 EP disclosed
EP-0725316-A1 Electrophotographic photoreceptor KONICA CORPORATION (JP) 1996-08-07 EP disclosed