SCHEMBL28038339

SCHEMBL28038339

O=CC(=O)c1cc(O)cc2cccc(O)c12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
DNMT1 P26358 1/20 0.44
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
MCL1 Q07820 1/20 0.44
APOBEC3G Q9HC16 1/20 0.44
KDM4E B2RXH2 2/20 0.39
POLB P06746 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
MAOA P21397 4/20 0.38
PTGES O14684 1/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
INPPL1 O15357 1/20 0.38
NSD2 O96028 1/20 0.38
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38

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
SCHEMBL27458341 0.84 MAOA (0.43) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL28823402 0.82 ANTXR2 (0.40) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL27719569 0.82 KDM4E (0.50) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL3390578 0.81 GRIN2D (0.51) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL29389056 0.72 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL2023306 0.72 ALDH1A1 (0.60) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL7305949 0.71 MEN1 (0.54) ALDH1A1MEN1KMT2ADNMT1CACNA1B
SCHEMBL3387947 0.70 HSD17B10 (0.53) ALDH1A1MEN1KMT2AKDM4EMAOA
SCHEMBL6456206 0.69 CHRNA7 (0.59) ALDH1A1MEN1KMT2AKDM4EMAPT
SCHEMBL4709388 0.69 ERN1 (0.48) ALDH1A1KDM4EMAPTMAPK1TDP1

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