SCHEMBL30445926

SCHEMBL30445926

CCOc1ccc(NC(=O)C=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.69
MEN1 O00255 2/20 0.69
LMNA P02545 2/20 0.69
CYP1A2 P05177 2/20 0.69
POLB P06746 2/20 0.69
TDP1 Q9NUW8 1/20 0.69
ALDH1A1 P00352 4/20 0.67
EGFR P00533 1/20 0.64
MAPT P10636 7/20 0.63
NPC1 O15118 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
KDM4E B2RXH2 2/20 0.58
HTT P42858 1/20 0.58
MAPK1 P28482 1/20 0.58
RAB9A P51151 4/20 0.56
HPGD P15428 1/20 0.56
TP53 P04637 1/20 0.56
FAAH O00519 1/20 0.56

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
SCHEMBL11227015 0.86 KMT2A (0.65) KMT2AMEN1LMNACYP1A2POLB
SCHEMBL8548307 0.86 TGM2 (0.68) KMT2AMEN1LMNACYP1A2POLB
SCHEMBL23343645 0.84 EGFR (0.63) KMT2AMEN1LMNACYP1A2POLB
SCHEMBL28617126 0.83 EGFR (0.66) KMT2AMEN1LMNACYP1A2POLB
SCHEMBL30764038 0.83 EGFR (0.70) KMT2AMEN1LMNACYP1A2POLB
SCHEMBL10576308 0.83 MAPT (0.86) KMT2AMEN1LMNACYP1A2POLB
SCHEMBL8468299 0.82 TGM2 (0.62) KMT2AMEN1LMNACYP1A2POLB
Phenacetin SCHEMBL18894356 0.81 KMT2A (1.00) KMT2AMEN1LMNACYP1A2POLB
Phenacetin SCHEMBL23280 0.81 KMT2A (1.00) KMT2AMEN1LMNACYP1A2POLB
SCHEMBL4189931 0.81 KMT2A (0.73) KMT2AMEN1LMNACYP1A2POLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116148398-B Method for detecting trace chemical hazard in fat-rich food 北京市疾病预防控制中心 2023-09-05 CN disclosed
CN-116148398-A Method for detecting trace chemical hazard in fat-rich food 北京市疾病预防控制中心 2023-05-23 CN disclosed