SCHEMBL31497571

SCHEMBL31497571

COC(=O)c1c(C=O)ccc2ccccc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 2/20 0.55
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NR4A2 P43354 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
ERN1 O75460 2/20 0.44
RCE1 Q9Y256 1/20 0.43
MAPK1 P28482 2/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 5/20 0.43
HPGD P15428 3/20 0.43
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 2/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42

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
SCHEMBL5134400 0.83 NCEH1 (0.51) NCEH1MEN1KMT2ANR4A2SMN1; SMN2
SCHEMBL30423720 0.82 NCEH1 (0.50) NCEH1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL14149856 0.82 NCEH1 (0.50) NCEH1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL29054179 0.82 NCEH1 (0.50) NCEH1MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL9008021 0.81 NCEH1 (0.49) NCEH1MEN1KMT2AERN1ALDH1A1
SCHEMBL27749330 0.80 NCEH1 (0.48) NCEH1MEN1KMT2AERN1ALDH1A1
SCHEMBL1407222 0.80 MEN1 (0.55) MEN1KMT2ANR4A2ERN1LMNA
SCHEMBL4822278 0.80 ERN1 (0.46) MEN1KMT2ASMN1; SMN2ERN1LMNA
Hydrochloric Acid SCHEMBL27640202 0.79 NCEH1 (0.47) NCEH1MEN1KMT2AERN1ALDH1A1
SCHEMBL7193527 0.79 MMP3 (0.50) ERN1

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-119490406-A Preparation method of 4-formylnaphthalene-1-carboxylic acid methyl ester 长沙创新药物工业技术研究院有限公司 2025-02-21 CN disclosed