SCHEMBL28635110

SCHEMBL28635110

C/C=C(\C)C(=O)OC1CO1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.31
KDM4E B2RXH2 1/20 0.31
CYP3A4 P08684 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TSHR P16473 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
SCHEMBL27698046 1.00 ALDH1A1 (0.34) ALDH1A1MAPTKDM4ECYP3A4HPGD
SCHEMBL28532624 0.88 ALDH1A1 (0.31) ALDH1A1
SCHEMBL5509452 0.83 MAPT (0.33) ALDH1A1MAPTKDM4EHPGD
SCHEMBL5509442 0.83 MAPT (0.33) ALDH1A1MAPTKDM4EHPGD
SCHEMBL2576614 0.78 ALDH1A1 (0.34) ALDH1A1MAPTKDM4EHPGDTSHR
SCHEMBL3683016 0.78 MAPT (0.33) ALDH1A1MAPTKDM4ECYP3A4HPGD
SCHEMBL5699106 0.78 MAPT (0.33) ALDH1A1MAPTKDM4ECYP3A4HPGD
SCHEMBL819741 0.77
SCHEMBL29113618 0.77 MAPT (0.30) MAPT
SCHEMBL3839822 0.77 MEN1 (0.34) ALDH1A1MAPTHPGDTSHR

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-108463493-B Polymeric substrate having a surface with reduced biomolecule adhesion and thermoplastic articles of such substrate SIO2医药产品公司 2021-10-15 CN disclosed