SCHEMBL31097019

SCHEMBL31097019

COC(=O)C1=CCC(C)(O)C=C1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 2/20 0.35
LMNA P02545 2/20 0.31
HPGD P15428 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
THRB P10828 1/20 0.31
CHRM1 P11229 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 2/20 0.30
SMN1; SMN2 Q16637 2/20 0.30
NPC1 O15118 1/20 0.30
BLM P54132 1/20 0.30
MCOLN3 Q8TDD5 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
POLB P06746 1/20 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
SCHEMBL28802427 0.84 CHRM3 (0.35) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL6244380 0.79
SCHEMBL2813550 0.75
SCHEMBL8279057 0.74
SCHEMBL28464500 0.72 GAA (0.30)
SCHEMBL28238680 0.71
SCHEMBL9532663 0.69 CA1 (0.38) CHRM3LMNACHRM2CHRM4CHRM5
SCHEMBL13618769 0.69 LMNA (0.32) LMNAHPGDTSHR
SCHEMBL18526279 0.68 TSHR (0.33) LMNAHPGDTSHRPOLB
SCHEMBL16810704 0.67

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-118619922-A Hydroxamic acid compound, and preparation method and application thereof 郑州大学 2024-09-10 CN claimed