SCHEMBL2388960

SCHEMBL2388960

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.46
TBXAS1 P24557 2/20 0.43
CA2 P00918 1/20 0.42
HSP90AA1 P07900 1/20 0.42
HSP90AB1 P08238 1/20 0.42
EGFR P00533 1/20 0.42
IAPP P10997 1/20 0.40
GRIK1 P39086 1/20 0.39
CAPN1 P07384 1/20 0.39
ESR1 P03372 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
HDAC2 Q92769 1/20 0.38

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
SCHEMBL9515763 0.87 DPEP1 (0.46) TBXAS1GRIK1PSEN1PSEN2APH1B
SCHEMBL2232408 0.85 ALOX5 (0.47) BACE1CA2HSP90AA1HSP90AB1IAPP
SCHEMBL6678560 0.85 EGFR (0.57) BACE1TBXAS1CA2EGFRIAPP
SCHEMBL2555923 0.83 TRPA1 (0.55) TBXAS1GRIK1MEN1KMT2APSEN1
SCHEMBL2555924 0.83 TRPA1 (0.55) TBXAS1GRIK1MEN1KMT2APSEN1
SCHEMBL2394182 0.83 BACE1 (0.47) BACE1TBXAS1EGFRIAPPCAPN1
SCHEMBL2392804 0.82 TTR (0.41) TBXAS1GRIK1ESR1MEN1KMT2A
SCHEMBL2392661 0.81 KMT2A (0.47) TBXAS1EGFRIAPPCAPN1ESR1
SCHEMBL16566771 0.80 TBXAS1 (0.42) TBXAS1CA2GRIK1ESR1MEN1
SCHEMBL5173409 0.79 TBXAS1 (0.58) TBXAS1EGFRGRIK1ESR1MEN1

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