SCHEMBL31347504

SCHEMBL31347504

O=[N+]([O-])c1cc(O)cc(CO)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
TSHR P16473 4/20 0.47
ALDH1A1 P00352 3/20 0.47
ALOX15 P16050 2/20 0.47
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 2/20 0.42
GAA P10253 1/20 0.42
PKM P14618 1/20 0.42
CYP19A1 P11511 1/20 0.41
GPR35 Q9HC97 4/20 0.41
TTR P02766 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
ALOX12 P18054 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL11025268 1.00 ACHE (0.54) ACHETSHRALDH1A1ALOX15MEN1
SCHEMBL716259 0.87 CYP19A1 (0.54) TSHRALDH1A1ALOX15MEN1KMT2A
SCHEMBL561018 0.87 CYP19A1 (0.48) TSHRALDH1A1ALOX15MEN1KMT2A
SCHEMBL17164362 0.86 TSHR (0.55) TSHRALDH1A1ALOX15MEN1KMT2A
SCHEMBL18416742 0.82 HTT (0.48) TSHRALDH1A1ALOX15MEN1KMT2A
SCHEMBL31347505 0.82 ALDH1A1 (0.46) TSHRALDH1A1ALOX15MEN1KMT2A
SCHEMBL9265700 0.80 ALDH1A1 (0.60) TSHRALDH1A1ALOX15MEN1KMT2A
SCHEMBL593064 0.80 CYP19A1 (0.62) TSHRALDH1A1ALOX15MEN1KMT2A
SCHEMBL69389 0.80 ALDH1A1 (0.60) TSHRALDH1A1ALOX15MEN1KMT2A
SCHEMBL18407603 0.80 TSHR (0.56) TSHRALDH1A1ALOX15MEN1KMT2A

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-119591621-A Novel ecteinascidin derivatives, preparation method and application thereof, antibody drug conjugate and application thereof 泰诚思(上海)生物医药有限公司 2025-03-11 CN disclosed