SCHEMBL2389154

SCHEMBL2389154

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

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 1/20 0.51
PSEN2 P49810 1/20 0.51
APH1B Q8WW43 1/20 0.51
NCSTN Q92542 1/20 0.51
APH1A Q96BI3 1/20 0.51
PSENEN Q9NZ42 1/20 0.51
HPGD P15428 4/20 0.49
ALDH1A1 P00352 7/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
CTSL P07711 3/20 0.47
RECQL P46063 1/20 0.47
MAPT P10636 2/20 0.46
CYP3A4 P08684 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL8588648 0.87 GAA (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9515290 0.83 TBXAS1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9515296 0.83 TBXAS1 (0.48) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL3637129 0.81 MAPT (0.60) HPGDALDH1A1MEN1KMT2ALMNA
SCHEMBL10350136 0.81 MAPT (0.60) HPGDALDH1A1MEN1KMT2ALMNA
SCHEMBL1405662 0.81 MAPT (0.60) HPGDALDH1A1MEN1KMT2ALMNA
SCHEMBL2392661 0.81 KMT2A (0.47) ALDH1A1MEN1KMT2APKM
SCHEMBL1907796 0.79 DPEP1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL2394174 0.79 DPEP1 (0.49) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL29279528 0.78 PRKDC (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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