SCHEMBL31035951

SCHEMBL31035951

Oc1cccc2cc3ccccc3c(O)c12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.72
ALDH1A1 P00352 3/20 0.72
KMT2A Q03164 3/20 0.72
DNMT1 P26358 1/20 0.72
CACNA1B Q00975 1/20 0.72
APBA1 Q02410 1/20 0.72
MCL1 Q07820 1/20 0.72
APOBEC3G Q9HC16 1/20 0.72
CYP1A2 P05177 3/20 0.52
MAOA P21397 2/20 0.48
ERBB2 P04626 1/20 0.48
FYN P06241 1/20 0.48
ACHE P22303 1/20 0.48
AHR P35869 1/20 0.48
PTPN22 Q9Y2R2 1/20 0.48
TRPM4 Q8TD43 1/20 0.48
NQO2 P16083 1/20 0.47
HPGD P15428 3/20 0.46
HSD17B10 Q99714 3/20 0.46
MAPT P10636 2/20 0.46

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
SCHEMBL5598124 1.00 MEN1 (0.72) MEN1ALDH1A1KMT2ADNMT1CACNA1B
SCHEMBL30066036 1.00 MEN1 (0.72) MEN1ALDH1A1KMT2ADNMT1CACNA1B
Methane SCHEMBL7938130 0.98 MEN1 (0.69) MEN1ALDH1A1KMT2ADNMT1CACNA1B
SCHEMBL3198 0.84 ALDH1A1 (1.00) MEN1ALDH1A1KMT2ADNMT1CACNA1B
SCHEMBL9742451 0.84 ALDH1A1 (0.73) MEN1ALDH1A1KMT2ADNMT1CACNA1B
SCHEMBL7911783 0.83 ALDH1A1 (0.65) MEN1ALDH1A1KMT2ADNMT1CACNA1B
SCHEMBL26248752 0.82 MEN1 (0.64) MEN1ALDH1A1KMT2ADNMT1CACNA1B
SCHEMBL11107827 0.82 PTPN22 (0.63) MEN1ALDH1A1KMT2ADNMT1CACNA1B
SCHEMBL27520184 0.81 PTPN22 (0.56) MEN1ALDH1A1KMT2ADNMT1CACNA1B
SCHEMBL3320154 0.80 ALDH1A1 (0.91) MEN1ALDH1A1KMT2ADNMT1CACNA1B

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-118460488-A Mutant of cyclohydroxylation dioxygenase and application thereof 上海交通大学 2024-08-09 CN disclosed