SCHEMBL31296430

SCHEMBL31296430

COC(=O)C1(C(=O)OC)Cc2c(C)cc(CCCP(=O)(c3ccccc3)c3ccccc3)c(C)c2C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
HTT P42858 3/20 0.36
GAA P10253 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
ALPG P10696 1/20 0.36
ALOX12 P18054 1/20 0.36
NPY1R P25929 1/20 0.36
NPY2R P49146 1/20 0.36
KMT2A Q03164 3/20 0.33
TDP1 Q9NUW8 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MEN1 O00255 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.31
CYP3A4 P08684 1/20 0.31
TSHR P16473 1/20 0.31
USP2 O75604 2/20 0.30

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
SCHEMBL31296472 0.81 SCN1A (0.37) POLBHTTALDH1A1KMT2ATDP1
SCHEMBL31296463 0.80 ALDH1A1 (0.38) HTTGAAALDH1A1MAPTKMT2A
SCHEMBL31296485 0.80 HPGD (0.31) MAPTKMT2AMEN1
SCHEMBL31296495 0.79 MAOA (0.36) POLBALDH1A1KMT2AMEN1CYP3A4
SCHEMBL31296456 0.79
SCHEMBL31296486 0.79
SCHEMBL31296419 0.78 MEN1 (0.37) ALDH1A1KMT2AMEN1CYP3A4
SCHEMBL31296467 0.73 KDM4E (0.38) POLBGAAALDH1A1MAPTTDP1
SCHEMBL31296478 0.71 IDO1 (0.30)
SCHEMBL31296464 0.70 CA12 (0.32) POLBMAPTSMN1; SMN2

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-119219681-A Method for synthesizing axial chiral organoboron compounds 合成化学暨分子生物学有限公司 2024-12-31 CN disclosed