SCHEMBL30003168

SCHEMBL30003168

COc1cccc2c1C(=O)C(O)=C(C)C2=O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.64
PIM1 P11309 1/20 0.64
ELANE P08246 8/20 0.61
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
MAPT P10636 4/20 0.55
ALDH1A1 P00352 3/20 0.55
APAF1 O14727 1/20 0.55
MITF O75030 1/20 0.55
LMNA P02545 1/20 0.55
HTT P42858 1/20 0.55
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
BACE1 P56817 1/20 0.50
CTSG P08311 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA7 P43166 1/20 0.49
CA9 Q16790 1/20 0.49
TOP1 P11387 1/20 0.49

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
SCHEMBL23271858 1.00 EGFR (0.64) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL5819560 0.88 EGFR (0.70) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL30003387 0.86 ALDH1A1 (0.62) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL23271965 0.86 ALDH1A1 (0.62) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL9628329 0.84 ALDH1A1 (0.60) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL3417492 0.82 EGFR (0.76) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL23271783 0.80 MAPT (0.53) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL30004043 0.80 MAPT (0.53) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL9628316 0.80 MAPT (0.55) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL8947495 0.80 EGFR (0.73) EGFRPIM1ELANEMEN1KMT2A

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-110891980-B Radical polymerization control agent and radical polymerization control method 川崎化成工业株式会社 2022-09-30 CN disclosed