SCHEMBL2392661

SCHEMBL2392661

CCC(=Cc1ccc(O)c(Br)c1)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
ALDH1A1 P00352 1/20 0.47
PTP4A3 O75365 1/20 0.46
PTP4A1 Q93096 1/20 0.46
PKM P14618 1/20 0.45
PSMD14 O00487 1/20 0.44
PRMT1 Q99873 1/20 0.44
TBXAS1 P24557 2/20 0.43
EGFR P00533 1/20 0.42
MKNK2 Q9HBH9 1/20 0.41
CSNK2A1 P68400 1/20 0.41
EP300 Q09472 1/20 0.40
IAPP P10997 1/20 0.40
F2R P25116 1/20 0.39
APP P05067 4/20 0.39
CAPN1 P07384 1/20 0.39
ESR1 P03372 1/20 0.39

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
SCHEMBL9515290 0.87 TBXAS1 (0.48) KMT2AMEN1TBXAS1ESR1
SCHEMBL9515296 0.87 TBXAS1 (0.48) KMT2AMEN1TBXAS1ESR1
SCHEMBL6678560 0.85 EGFR (0.57) KMT2AMEN1ALDH1A1TBXAS1EGFR
SCHEMBL1907796 0.83 DPEP1 (0.49) TBXAS1ESR1
SCHEMBL2394174 0.83 DPEP1 (0.49) TBXAS1ESR1
SCHEMBL2394182 0.83 BACE1 (0.47) KMT2AMEN1ALDH1A1TBXAS1EGFR
SCHEMBL2388960 0.81 BACE1 (0.46) KMT2AMEN1TBXAS1EGFRIAPP
SCHEMBL2389154 0.81 PSEN1 (0.51) KMT2AMEN1ALDH1A1PKM
SCHEMBL5173409 0.79 TBXAS1 (0.58) KMT2AMEN1ALDH1A1TBXAS1EGFR
SCHEMBL1405662 0.79 MAPT (0.60) KMT2AMEN1ALDH1A1PKMEGFR

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
US-RE42700-E1 Induction of apoptosis in cancer cells SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2011-09-13 US disclosed