SCHEMBL30818409

SCHEMBL30818409

COC1(C)OC(=O)CC1O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
KDM4E B2RXH2 2/20 0.30
PIK3R1 P27986 1/20 0.30
PIK3CA P42336 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 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
SCHEMBL30812624 0.81 ALDH1A1 (0.39) TYRALDH1A1LMNATSHR
SCHEMBL5345898 0.74
SCHEMBL16475536 0.71 ALDH1A1 (0.36) ALDH1A1LMNATSHRKDM4ECYP3A4
SCHEMBL20671031 0.69 ALDH1A1 (0.39) ALDH1A1LMNATSHRKDM4ECYP3A4
SCHEMBL30812625 0.69 CYP3A4 (0.33) CYP3A4
SCHEMBL4774186 0.67 ALDH1A1 (0.30) ALDH1A1LMNA
SCHEMBL29265283 0.63 SMN1; SMN2 (0.37) ALDH1A1LMNA
SCHEMBL21682142 0.63 SHBG (0.35) ALDH1A1LMNATSHRCYP3A4HSD17B10
SCHEMBL11931948 0.63 ALDH1A1 (0.36) ALDH1A1LMNATSHRCYP3A4MAPT
SCHEMBL17381142 0.63 ALDH1A1 (0.36) ALDH1A1LMNATSHRCYP3A4MAPT

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-117491535-B Quality evaluation method of external gel bulk drug of lindera root 山东省食品药品检验研究院 2024-03-22 CN disclosed