SCHEMBL28823402

SCHEMBL28823402

O=CC(=O)c1cc(O)cc2cc(O)cc(O)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANTXR2 P58335 1/20 0.40
CHRNA7 P36544 5/20 0.34
ALPL P05186 1/20 0.34
ALPI P09923 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 4/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HPGD P15428 2/20 0.33
MGAM O43451 1/20 0.33
GAA P10253 1/20 0.33
SI P14410 1/20 0.33
MGAM2 Q2M2H8 1/20 0.33
MAPT P10636 2/20 0.33
CES2 O00748 1/20 0.32
FASN P49327 1/20 0.32
CYP2C9 P11712 2/20 0.32
NFKB1 P19838 2/20 0.32
CYP2C19 P33261 2/20 0.32
TYR P14679 1/20 0.32

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
SCHEMBL28038339 0.82 ALDH1A1 (0.44) CHRNA7L3MBTL1CYP3A4MEN1KMT2A
SCHEMBL704787 0.71 ANTXR2 (0.50) ANTXR2ALPLALPIL3MBTL1CYP3A4
SCHEMBL29386163 0.71 ANTXR2 (0.50) ANTXR2ALPLALPIL3MBTL1CYP3A4
SCHEMBL12275031 0.70 CYP3A4 (0.52) CHRNA7CYP3A4MEN1KMT2AHPGD
SCHEMBL6456206 0.69 CHRNA7 (0.59) CHRNA7MEN1KMT2AHPGDMAPT
SCHEMBL28020214 0.68 CA12 (0.48) ANTXR2L3MBTL1CYP3A4MEN1KMT2A
SCHEMBL27458341 0.66 MAOA (0.43) L3MBTL1CYP3A4MEN1KMT2AHPGD
SCHEMBL27719569 0.65 KDM4E (0.50) CYP3A4MEN1KMT2AHPGDGAA
SCHEMBL28038668 0.65 MTNR1A (0.50) L3MBTL1CYP3A4MEN1KMT2AHPGD
SCHEMBL3387947 0.64 HSD17B10 (0.53) MEN1KMT2AHPGDLMNACYP1A2

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-105073723-A Compounds derived from protected or unprotected iridoids, compositions comprising same, use as dyes for keratin fibres and devices OREAL 2015-11-18 CN disclosed