SCHEMBL28287170

SCHEMBL28287170

CC[C@@H](CCCC(=O)ON1C(=O)CCC1=O)CN1C(=O)C=CC1=O

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CYP1A2 P05177 1/20 0.35
HPGD P15428 1/20 0.35
CYP2C19 P33261 1/20 0.35
BLM P54132 1/20 0.35
WRN Q14191 1/20 0.35
HIF1A Q16665 1/20 0.35
GSK3A P49840 1/20 0.35
GSK3B P49841 1/20 0.35
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL27906685 1.00 ALDH1A1 (0.35) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL9578338 0.87
SCHEMBL20000718 0.84 ALDH1A1 (0.31) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL28125290 0.82 TSHR (0.32) CYP3A4TSHRATMTDP1KMT2A
SCHEMBL28075242 0.81 ALDH1A1 (0.33) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL10428722 0.80 KMT2A (0.33) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL28068963 0.79 ALDH1A1 (0.38) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL27459207 0.77 PTGS1 (0.50) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL105903 0.77 PTGS1 (0.46) ALDH1A1CYP1A2HPGDCYP2C19BLM
SCHEMBL28130248 0.77 PTGS1 (0.50) ALDH1A1CYP1A2HPGDCYP2C19BLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110461876-A For exhausting the composition and method of CD137+ cell MAGENTA THERAPEUTICS INC 2019-11-15 CN disclosed
CN-109661400-A Compositions and methods for depleting CD117+ cells 美真达治疗公司 2019-04-19 CN disclosed
CN-109641051-A For exhausting the composition and method of cell 美真达治疗公司 2019-04-16 CN disclosed