SCHEMBL13953733

SCHEMBL13953733

COC[C@@H](C)[C@H](O)CC(O)COC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.42
▸ USP2 O75604 4/20 0.42
▸ CYP3A4 P08684 3/20 0.42
▸ MAPT P10636 3/20 0.42
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HPGD P15428 1/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.34
▸ LMNA P02545 2/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ ALOX15 P16050 1/20 0.31
▸ PGR P06401 1/20 0.31
▸ CHRM2 P08172 1/20 0.31
▸ CHRM4 P08173 1/20 0.31
▸ HTR1A P08908 1/20 0.31
▸ CHRM5 P08912 1/20 0.31
▸ CHRM1 P11229 1/20 0.31

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
SCHEMBL10020242 0.78 TDP1 (0.47) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL15693929 0.78 USP2 (0.50) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL8074473 0.78 ALDH1A1 (0.58) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL27498360 0.76 TDP1 (0.35) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL13623332 0.74 TDP1 (0.42) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL304203 0.73 TDP1 (0.54) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL3841838 0.73 ALDH1A1 (0.42) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL28501027 0.71 ALDH1A1 (0.42) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL12124735 0.71 TDP1 (0.39) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2
SCHEMBL12863645 0.71 ALDH1A1 (0.51) ALDH1A1USP2CYP3A4MAPTSMN1; SMN2

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
EP-2025761-A1 Nucleic acid amplification method FUJIFILM Corporation (JP) 2009-02-18 — — EP disclosed
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