SCHEMBL21573136

SCHEMBL21573136

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.52
PIM1 P11309 1/20 0.52
MEN1 O00255 5/20 0.50
KMT2A Q03164 5/20 0.50
ELANE P08246 8/20 0.48
S100A4 P26447 4/20 0.43
CTSG P08311 1/20 0.42
CYP3A4 P08684 3/20 0.42
THRB P10828 3/20 0.42
BRCA1 P38398 3/20 0.42
RECQL P46063 3/20 0.42
BLM P54132 3/20 0.42
USP2 O75604 3/20 0.42
MAPT P10636 3/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 2/20 0.42
HIF1A Q16665 2/20 0.42
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 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
SCHEMBL17278322 1.00 EGFR (0.52) EGFRPIM1MEN1KMT2AELANE
SCHEMBL567474 0.86 EGFR (0.54) EGFRPIM1MEN1KMT2AELANE
SCHEMBL14537729 0.86 EGFR (0.54) EGFRPIM1MEN1KMT2AELANE
Hydrochloric Acid SCHEMBL29658548 0.85 EGFR (0.53) EGFRPIM1MEN1KMT2AELANE
Hydrochloric Acid SCHEMBL7460 0.85 EGFR (0.53) EGFRPIM1MEN1KMT2AELANE
SCHEMBL13452107 0.85 EGFR (0.53) EGFRPIM1MEN1KMT2AELANE
SCHEMBL13472029 0.84 MAOA (0.49) MEN1KMT2AELANECTSGCYP3A4
SCHEMBL22873368 0.83 EGFR (0.51) EGFRPIM1MEN1KMT2AELANE
SCHEMBL21886965 0.83 EGFR (0.51) EGFRPIM1MEN1KMT2AELANE
SCHEMBL11395596 0.83 EGFR (0.51) EGFRPIM1MEN1KMT2AELANE

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
EP-3693391-A1 ANTI-CLL-1 ANTIBODIES AND IMMUNOCONJUGATES Genentech, Inc. (US) 2020-08-12 EP disclosed
EP-3191134-B1 ANTHRACYCLINE DISULFIDE INTERMEDIATES, ANTIBODY-DRUG CONJUGATES AND METHODS GENENTECH INC (US) 2019-11-20 EP disclosed