SCHEMBL27614232

SCHEMBL27614232

CCC(CCC(=O)O)(C(C)=O)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
THRB P10828 1/20 0.50
NAALAD2 Q9Y3Q0 1/20 0.39
FFAR3 O14843 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
LMNA P02545 2/20 0.37
SLC15A2 Q16348 1/20 0.37
AKR1B1 P15121 1/20 0.34
GPR84 Q9NQS5 7/20 0.33
PPARG P37231 7/20 0.33
PPARD Q03181 7/20 0.33
PPARA Q07869 7/20 0.33
HDAC11 Q96DB2 5/20 0.33
TSHR P16473 4/20 0.33

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
SCHEMBL8856972 0.89 ALDH1A1 (0.45) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL11305844 0.89 ALDH1A1 (0.56) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL17767284 0.87 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL17767286 0.87 ALDH1A1 (0.38) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL1406211 0.84 LMNA (0.46) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL9025615 0.82 ALDH1A1 (0.34) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL1157607 0.81 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL9814840 0.81 ALDH1A1 (0.39) ALDH1A1MEN1KMT2ACYP1A2THRB
Butyric Acid SCHEMBL17765471 0.81 FFAR3 (0.54) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL1406387 0.80 MEN1 (0.44) ALDH1A1MEN1KMT2ACYP1A2THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100473667-C Photoinitiator, novel compound and photocurable composition DAINIPPON INK & CHEMICALS (JP) 2009-04-01 CN disclosed
CN-1642992-A Photoinitiator, photocurable composition of novel compound DAINIPPON INK & CHEMICALS (JP) 2005-07-20 CN disclosed