SCHEMBL30201064

SCHEMBL30201064

COC(=O)CCc1ccc(O)c([N+](=O)[O-])c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.50
ALOX5 P09917 1/20 0.47
OR51E2 Q9H255 1/20 0.47
MAPT P10636 3/20 0.46
NPSR1 Q6W5P4 1/20 0.46
APP P05067 1/20 0.46
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 2/20 0.45
HPGD P15428 2/20 0.45
TP53 P04637 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
GPR35 Q9HC97 1/20 0.45
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC5A1 P13866 1/20 0.44
KMT2A Q03164 1/20 0.44
KDM4E B2RXH2 1/20 0.43
APOBEC3G Q9HC16 1/20 0.43

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
SCHEMBL5416433 1.00 POLB (0.50) POLBALOX5OR51E2MAPTNPSR1
SCHEMBL4643463 0.86 CYP4F2 (0.52) POLBMAPTNPSR1APPALDH1A1
SCHEMBL286994 0.85 ALDH1A1 (0.59) POLBMAPTNPSR1ALDH1A1MAPK1
SCHEMBL31170840 0.85 ALDH1A1 (0.59) POLBMAPTNPSR1ALDH1A1MAPK1
SCHEMBL14565801 0.84 LMNA (0.52) MAPTALDH1A1HPGDSMN1; SMN2KMT2A
SCHEMBL1644381 0.84 ALDH1A1 (0.48) POLBMAPTALDH1A1MAPK1HPGD
SCHEMBL4850663 0.84 LMNA (0.47) POLBMAPTALDH1A1HPGDTSHR
SCHEMBL3949693 0.84 ALDH1A1 (0.58) MAPTALDH1A1TSHRSMN1; SMN2KMT2A
SCHEMBL9375548 0.84 POLB (0.50) POLBMAPTNPSR1ALDH1A1MAPK1
SCHEMBL11009236 0.83 IAPP (0.53) POLBALOX5OR51E2MAPTNPSR1

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-109912683-B Cytotoxin molecule, conjugate, preparation method and application thereof 杭州多禧生物科技有限公司 2023-01-06 CN disclosed