SCHEMBL8024204

SCHEMBL8024204

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

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 3/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
CA14 Q9ULX7 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
ABCB1 P08183 1/20 0.31
CA12 O43570 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
SCHEMBL2336327 0.88 KMT2A (0.45) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL8420441 0.88 KMT2A (0.45) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL23687256 0.82 ALDH1A1 (0.35) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL5085952 0.82 ALDH1A1 (0.35) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL2361611 0.81 GRIK1 (0.34) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL14601495 0.80 MEN1 (0.35) MEN1KMT2AALDH1A1LMNATSHR
SCHEMBL8023984 0.79 TSHR (0.34) TSHRSMN1; SMN2MMP1MMP2MMP3
SCHEMBL16863081 0.78 ALOX15 (0.36) ALDH1A1SMN1; SMN2CA14
SCHEMBL16859433 0.78 ALOX15 (0.36) ALDH1A1SMN1; SMN2CA14
SCHEMBL16859432 0.78 ALOX15 (0.36) ALDH1A1SMN1; SMN2CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0774452-B1 Optically active compounds having plural chiral centers and the production thereof CHISSO CORP (JP) 2000-01-26 EP disclosed
EP-0428392-B1 Processes for the preparation of optically active compounds having plural chiral centers CHISSO CORP (JP) 1998-05-27 EP disclosed
EP-0774452-A1 Optically active compounds having plural chiral centers and the production thereof Chisso Corporation (JP) 1997-05-21 EP disclosed
US-5574182-A HYDROLYSING 3-HYDROXYCARBOXYLIC ACID, CYCLIZING ESTER TO FORM 1,3-DIOXAN-4-ONE, DECYCLIZATION AND ESTERIFICATION CHISSO CORPORATION (JP) 1996-11-12 US disclosed
US-5411877-A Esterification CHISSO CORPORATION (JP) 1995-05-02 US disclosed
US-5348870-A Using hydrolase to effect ester interchange and resolution, then alcoholysis or hydrolysis and dehydration with cyclization and crystallization CHISSO CORPORATION (JP) 1994-09-20 US disclosed
EP-0428392-A2 Optically active compounds having plural chiral centers and the production thereof Chisso Corporation (JP) 1991-05-22 EP disclosed