SCHEMBL28475581

SCHEMBL28475581

CCCN(CCC)CC(CC(=O)O)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 2/20 0.42
▸ TDP1 Q9NUW8 2/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ AKR1A1 P14550 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ DRD3 P35462 1/20 0.41
▸ SLC6A3 Q01959 1/20 0.41
▸ HDAC1 Q13547 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ CA2 P00918 2/20 0.36
▸ MAPK1 P28482 1/20 0.36
▸ CPA1 P15085 2/20 0.36
▸ CPB1 P15086 1/20 0.36
▸ CPA3 P15088 1/20 0.36
▸ CPB2 Q96IY4 1/20 0.36
▸ CA12 O43570 1/20 0.34

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
SCHEMBL8995132 0.82 FOLH1 (0.43) FOLH1TDP1CPA1CPB1CPA3
SCHEMBL27914221 0.79 FOLH1 (0.47) FOLH1TDP1CHRM1AKR1A1CHRM3
SCHEMBL13118289 0.76 CA2 (0.45) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL28214954 0.74 FOLH1 (0.48) FOLH1TDP1CHRM1AKR1A1CHRM3
Malic Acid SCHEMBL5875327 0.73 SMN1; SMN2 (0.62) TDP1GPR84SMN1; SMN2
Malic Acid SCHEMBL5875321 0.73 SMN1; SMN2 (0.62) TDP1GPR84SMN1; SMN2
SCHEMBL15900035 0.72 FOLH1 (0.52) FOLH1TDP1CHRM1AKR1A1CHRM3
Methylmalonic Acid SCHEMBL5874817 0.72 CA12 (0.41) TDP1CHRM1AKR1A1CHRM3HTR2A
Methylmalonic Acid SCHEMBL5874814 0.72 CA12 (0.41) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL29109670 0.72 TDP1 (0.71) FOLH1TDP1CHRM1AKR1A1CHRM3

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-109394782-B Cholesterol derivative modified poly-molybdenum oxide cluster hybrid and preparation and application thereof 中北大学 2020-10-20 — — CN disclosed
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