SCHEMBL13812602

SCHEMBL13812602

Cc1cccc(CCOc2cccc(NC(=O)c3cc(Cl)ccc3O)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 12/20 0.58
▸ FADS1 O60427 2/20 0.57
▸ P2RX4 Q99571 3/20 0.56
▸ P2RX7 Q99572 3/20 0.56
▸ SIRT2 Q8IXJ6 2/20 0.54
▸ TMPRSS4 Q9NRS4 4/20 0.52
▸ MAPT P10636 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ SLC2A1 P11166 1/20 0.49
▸ NR1H4 Q96RI1 1/20 0.47

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
SCHEMBL13812606 0.91 P2RX1 (0.59) P2RX1FADS1P2RX4P2RX7SIRT2
SCHEMBL13812595 0.90 P2RX1 (0.60) P2RX1FADS1P2RX4P2RX7TMPRSS4
SCHEMBL3863657 0.90 P2RX1 (0.62) P2RX1FADS1P2RX4P2RX7SIRT2
SCHEMBL13812578 0.88 P2RX1 (0.61) P2RX1FADS1P2RX4P2RX7SIRT2
SCHEMBL13812562 0.88 TMPRSS4 (0.62) P2RX1FADS1P2RX4P2RX7SIRT2
SCHEMBL13812608 0.86 P2RX1 (0.58) P2RX1FADS1P2RX4P2RX7TMPRSS4
SCHEMBL13812651 0.85 P2RX1 (0.62) P2RX1FADS1P2RX4P2RX7TMPRSS4
SCHEMBL13812778 0.85 NR1H4 (0.54) FADS1SIRT2LMNANR1H4
SCHEMBL13812577 0.85 P2RX1 (0.55) P2RX1FADS1P2RX4P2RX7SIRT2
SCHEMBL13812676 0.85 P2RX1 (0.69) P2RX1FADS1P2RX4P2RX7SIRT2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
US-7547804-B2 Compounds, compositions, and methods employing same MYRIAD GENETICS, INC. (US) 2009-06-16 — — US disclosed
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