SCHEMBL28823876

SCHEMBL28823876

CCCCCC(O)(CCCC)C(=O)OCCCC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
ATM Q13315 2/20 0.44
NAAA Q02083 1/20 0.42
TSHR P16473 3/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
EPHX1 P07099 1/20 0.40
HCAR2 Q8TDS4 2/20 0.39
DGKA P23743 1/20 0.38
GGPS1 O95749 1/20 0.38
FDPS P14324 1/20 0.38
SMPD1 P17405 1/20 0.38

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
SCHEMBL11267960 0.98 NAAA (0.46) ALDH1A1ATMNAAATSHRHPGD
SCHEMBL31498965 0.92 NAAA (0.52) ALDH1A1ATMNAAATSHRMEN1
SCHEMBL28515810 0.92 NAAA (0.52) ALDH1A1ATMNAAATSHRMEN1
SCHEMBL28522527 0.92 NAAA (0.52) ALDH1A1ATMNAAATSHRMEN1
SCHEMBL247769 0.92 NAAA (0.52) ALDH1A1ATMNAAATSHRMEN1
SCHEMBL25342942 0.92 NAAA (0.52) ALDH1A1ATMNAAATSHRMEN1
SCHEMBL9460784 0.92 NAAA (0.52) ALDH1A1ATMNAAATSHRMEN1
SCHEMBL8003223 0.92 NAAA (0.52) ALDH1A1ATMNAAATSHRMEN1
SCHEMBL11824056 0.85 ALDH1A1 (0.38) ALDH1A1ATMNAAATSHRHPGD
SCHEMBL1734681 0.85 NAAA (0.48) ALDH1A1ATMNAAATSHRMEN1

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-114921518-A Nano-microorganism co-production technology for coal bed adsorbed gas, coal-to-hydrogen gas and coal-to-methane 成都能生材科技开发有限责任公司 2022-08-19 CN claimed
CN-114921518-A Nano-microorganism co-production technology for coal bed adsorbed gas, coal-to-hydrogen gas and coal-to-methane 成都能生材科技开发有限责任公司 2022-08-19 CN disclosed