SCHEMBL31590944

SCHEMBL31590944

COC(=O)c1ccc(Cn2c(C)ccc2C=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.51
ALDH1A1 P00352 3/20 0.51
MAPT P10636 3/20 0.51
KDM4E B2RXH2 3/20 0.51
TDP1 Q9NUW8 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
POLB P06746 1/20 0.51
THRB P10828 1/20 0.51
NR4A1 P22736 1/20 0.51
APEX1 P27695 1/20 0.51
APOBEC3A P31941 1/20 0.51
RECQL P46063 1/20 0.51
KMT2A Q03164 1/20 0.51
HIF1A Q16665 1/20 0.51
APOBEC3G Q9HC16 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RAB9A P51151 1/20 0.51
CYP4A11 Q02928 2/20 0.47

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
SCHEMBL31590590 0.82 ALDH1A1 (0.43) GAAALDH1A1MAPTMEN1KMT2A
SCHEMBL31590479 0.79 ALDH1A1 (0.47) GAAALDH1A1MAPTKDM4ETDP1
SCHEMBL31590716 0.79 ALDH1A1 (0.46) GAAALDH1A1MAPTKDM4ETDP1
SCHEMBL31590884 0.77 VDR (0.49) GAAALDH1A1MAPTKDM4ETDP1
SCHEMBL31590969 0.76 ALDH1A1 (0.44) GAAALDH1A1MAPTKDM4ETDP1
SCHEMBL31591021 0.76 ALDH1A1 (0.44) GAAALDH1A1MAPTKDM4ETDP1
SCHEMBL28432330 0.76 ALDH1A1 (0.51) GAAALDH1A1MEN1KMT2ARAB9A
SCHEMBL3206324 0.76 ALDH1A1 (0.59) GAAALDH1A1MAPTKDM4ETDP1
SCHEMBL3882851 0.73 CYP11B2 (0.56) GAAALDH1A1RAB9ALOXL2
SCHEMBL11643527 0.72 LMNA (0.56) GAAMAPTMEN1POLBKMT2A

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-120040330-A Benzyl pyrrole compound and preparation method and application thereof 深圳技术大学 2025-05-27 CN disclosed