SCHEMBL13964525

SCHEMBL13964525

CCCC1CN(S(=O)(=O)c2cccc(C)c2)c2ccc(OC)cc21

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTR6 P50406 1/20 0.64
▸ KMT2A Q03164 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ ATM Q13315 1/20 0.39
▸ ALDH1A1 P00352 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ KDM2B Q8NHM5 1/20 0.38
▸ SLC6A2 P23975 1/20 0.38
▸ SLC6A4 P31645 1/20 0.38
▸ SLC6A3 Q01959 1/20 0.38
▸ RORC P51449 6/20 0.38
▸ CYP11B1 P15538 2/20 0.37
▸ CYP11B2 P19099 2/20 0.37
▸ LMNA P02545 1/20 0.36

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
SCHEMBL13368604 0.88 HTR6 (0.62) HTR6KMT2AMEN1ALDH1A1POLB
SCHEMBL13964855 0.84 HTR6 (0.56) HTR6KMT2AMEN1ALDH1A1POLB
SCHEMBL13964526 0.83 HTR6 (0.63) HTR6KMT2AMEN1ALDH1A1POLB
SCHEMBL13964315 0.81 HTR6 (0.64) HTR6ALDH1A1POLBCYP3A4CYP2C9
SCHEMBL13368541 0.81 HTR6 (0.60) HTR6KMT2AMEN1ALDH1A1POLB
SCHEMBL13947148 0.80 HTR6 (0.62) HTR6KMT2AMEN1ALDH1A1POLB
SCHEMBL13368535 0.78 HTR6 (0.60) HTR6KMT2AMEN1ALDH1A1POLB
SCHEMBL13368559 0.78 HTR6 (0.74) HTR6KMT2AMEN1ALDH1A1POLB
SCHEMBL5502315 0.78 HTR6 (1.00) HTR6KMT2AMEN1ALDH1A1POLB
SCHEMBL14262775 0.78 HTR6 (0.74) HTR6KMT2AMEN1ALDH1A1POLB

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-7476746-B2 PPAR active compounds PLEXXIKON, INC. (US) 2009-01-13 — — US disclosed
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