SCHEMBL28878640

SCHEMBL28878640

CCCOC(=O)CCC.CCCOC(C(=O)O)C(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.37
ALDH1A1 P00352 4/20 0.35
TOP2A P11388 2/20 0.35
HCAR2 Q8TDS4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
LMNA P02545 2/20 0.32
DNM1 Q05193 1/20 0.32
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
HTR2C P28335 1/20 0.31
PAM P19021 2/20 0.31
P2RY10 O00398 4/20 0.31
GPR34 Q9UPC5 2/20 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
SCHEMBL28286297 0.92 DGKA (0.36) DGKAALDH1A1TOP2AHCAR2L3MBTL1
SCHEMBL125157 0.76
SCHEMBL21612911 0.75 TSHR (0.31)
Benzene SCHEMBL28264559 0.74 TOP2A (0.51) DGKAALDH1A1TOP2AHCAR2LMNA
SCHEMBL31355082 0.74 ALDH1A1 (0.55) DGKAALDH1A1TOP2AHCAR2DNM1
Ammonia Solution, Strong SCHEMBL28219689 0.74 ALDH1A1 (0.55) DGKAALDH1A1TOP2AHCAR2LMNA
SCHEMBL27559727 0.74 ALDH1A1 (0.55) DGKAALDH1A1TOP2AHCAR2LMNA
SCHEMBL28287680 0.72 MMP1 (0.40) DGKAALDH1A1TOP2AHCAR2L3MBTL1
SCHEMBL28332260 0.72 CA2 (0.32) HCAR2ADRA1AHTR2C
SCHEMBL26940445 0.70 THRB (0.33) ALDH1A1LMNAADRA1AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110382574-A Heterophasic propylene polymeric material and Propenes resin composition 住友化学株式会社 2019-10-25 CN disclosed