SCHEMBL31589282

SCHEMBL31589282

COC(=O)CNC(=O)CCCCCBr

nearest known ligand 0.78

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.78
GAA P10253 1/20 0.58
FAAH O00519 5/20 0.49
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 4/20 0.45
TET2 Q6N021 1/20 0.42
EPHX2 P34913 1/20 0.40
POLB P06746 1/20 0.39
POLA1 P09884 1/20 0.39
PKM P14618 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL31589533 0.98 RECQL (0.81) RECQLGAAFAAHALDH1A1LMNA
SCHEMBL23085256 0.84 RECQL (0.83) RECQLGAAALDH1A1LMNATSHR
SCHEMBL28920843 0.84 FAAH (0.56) RECQLFAAHALDH1A1LMNATSHR
SCHEMBL28920863 0.84 FAAH (0.56) RECQLGAAFAAHALDH1A1LMNA
SCHEMBL12960560 0.83 RECQL (0.81) RECQLGAAFAAHEPHX2POLB
SCHEMBL31336136 0.83 RECQL (0.81) RECQLGAAFAAHALDH1A1LMNA
SCHEMBL18796560 0.83 RECQL (0.81) RECQLGAAFAAHEPHX2POLB
SCHEMBL3391250 0.83 RECQL (0.81) RECQLGAAFAAHEPHX2POLB
SCHEMBL21199617 0.83 RECQL (0.81) RECQLGAAFAAHEPHX2POLB
SCHEMBL2496886 0.83 RECQL (0.81) RECQLGAAFAAHEPHX2POLB

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-120040435-A Mangiferin and derivatives thereof, preparation method and medical application thereof 安徽中医药大学 2025-05-27 CN disclosed