SCHEMBL31296463

SCHEMBL31296463

COC(=O)C1(C(=O)OC)Cc2c(C)cc(CCCSc3ccccc3)c(C)c2C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
SMN1; SMN2 Q16637 5/20 0.36
MAPT P10636 4/20 0.36
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
RECQL P46063 3/20 0.36
TDP1 Q9NUW8 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
KDM4E B2RXH2 2/20 0.36
TSHR P16473 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 3/20 0.36
RAB9A P51151 3/20 0.36

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 0.82 SCN1A (0.37) ALDH1A1L3MBTL1MEN1KMT2ATDP1
SCHEMBL31296485 0.81 HPGD (0.31) MAPTMEN1KMT2AHPGD
SCHEMBL31296430 0.80 POLB (0.37) ALDH1A1L3MBTL1SMN1; SMN2MAPTMEN1
SCHEMBL31296486 0.79
SCHEMBL31296495 0.79 MAOA (0.36) ALDH1A1MEN1KMT2AHPGDCYP1A2
SCHEMBL31296456 0.79
SCHEMBL31296419 0.78 MEN1 (0.37) ALDH1A1MEN1KMT2ACYP1A2CYP3A4
SCHEMBL31296467 0.74 KDM4E (0.38) ALDH1A1L3MBTL1MAPTTDP1HPGD
SCHEMBL31296484 0.72 GAA (0.34) ALDH1A1LMNACYP1A2CYP3A4CYP2C9
SCHEMBL31296464 0.70 CA12 (0.32) SMN1; SMN2MAPTKDM4E

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