SCHEMBL2394182

SCHEMBL2394182

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.47
TBXAS1 P24557 2/20 0.44
EGFR P00533 2/20 0.43
IAPP P10997 1/20 0.41
ESR1 P03372 5/20 0.40
CAPN1 P07384 1/20 0.40
ESR2 Q92731 3/20 0.40
AR P10275 2/20 0.40
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
PSEN1 P49768 1/20 0.39
PSEN2 P49810 1/20 0.39
APH1B Q8WW43 1/20 0.39
NCSTN Q92542 1/20 0.39
APH1A Q96BI3 1/20 0.39
PSENEN Q9NZ42 1/20 0.39
ERBB2 P04626 1/20 0.39
SIRT1 Q96EB6 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
SCHEMBL6678560 0.87 EGFR (0.57) BACE1TBXAS1EGFRIAPPCAPN1
SCHEMBL2233170 0.85 ALOX5 (0.50) BACE1IAPPESR1CAPN1ESR2
SCHEMBL16001868 0.83 MEN1 (0.48) BACE1ESR1MEN1ALDH1A1MAPT
SCHEMBL2388960 0.83 BACE1 (0.46) BACE1TBXAS1EGFRIAPPESR1
SCHEMBL2392661 0.83 KMT2A (0.47) TBXAS1EGFRIAPPESR1CAPN1
SCHEMBL2389163 0.81 CYP2C9 (0.46) TBXAS1EGFRESR1MEN1ALDH1A1
SCHEMBL5173409 0.80 TBXAS1 (0.58) TBXAS1EGFRESR1MEN1ALDH1A1
SCHEMBL1405662 0.80 MAPT (0.60) BACE1EGFRMEN1ALDH1A1MAPT
SCHEMBL10350136 0.80 MAPT (0.60) BACE1EGFRMEN1ALDH1A1MAPT
SCHEMBL3637129 0.80 MAPT (0.60) BACE1EGFRMEN1ALDH1A1MAPT

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