SCHEMBL21886965

SCHEMBL21886965

COc1cccc2c1C(=O)c1c(O)c3c(c(O)c1C2=O)C[C@@H](C(=O)O)CC3

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.51
PIM1 P11309 1/20 0.51
CYP1A2 P05177 2/20 0.48
ELANE P08246 8/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
S100A4 P26447 3/20 0.42
CTSG P08311 1/20 0.42
CTH P32929 1/20 0.41
CYP3A4 P08684 3/20 0.41
THRB P10828 3/20 0.41
BRCA1 P38398 3/20 0.41
RECQL P46063 3/20 0.41
BLM P54132 3/20 0.41
MAPT P10636 3/20 0.41
USP2 O75604 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 2/20 0.41
SMN1; SMN2 Q16637 2/20 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
SCHEMBL11429902 1.00 EGFR (0.51) EGFRPIM1CYP1A2ELANEMEN1
SCHEMBL22873368 0.91 EGFR (0.51) EGFRPIM1CYP1A2ELANEMEN1
SCHEMBL11395596 0.91 EGFR (0.51) EGFRPIM1CYP1A2ELANEMEN1
SCHEMBL23022615 0.88 EGFR (0.48) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL21650333 0.88 EGFR (0.48) EGFRPIM1CYP1A2ELANEMEN1
SCHEMBL8171745 0.88 EGFR (0.48) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL13444092 0.88 EGFR (0.48) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL19789618 0.87 EGFR (0.47) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL16848014 0.87 EGFR (0.47) EGFRPIM1ELANEMEN1KMT2A
SCHEMBL11402047 0.87 CYP1A2 (0.48) EGFRPIM1CYP1A2ELANEMEN1

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
WO-2020065408-A1 SULFOMALEIMIDE-BASED LINKERS AND CORRESPONDING CONJUGATES PIERRE FABRE MEDICAMENT (FR) 2020-04-02 WO disclosed