SCHEMBL13812679

SCHEMBL13812679

CCC(COc1cc(NC(=O)c2cc(Cl)ccc2O)ccc1C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TMPRSS4 Q9NRS4 6/20 0.51
▸ P2RX1 P51575 10/20 0.50
▸ P2RX4 Q99571 2/20 0.50
▸ P2RX7 Q99572 2/20 0.50
▸ FADS1 O60427 2/20 0.49
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ ALDH1A1 P00352 1/20 0.44
▸ GBA1 P04062 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ USP2 O75604 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ KCNMA1 Q12791 1/20 0.43

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
SCHEMBL13812585 0.85 FADS1 (0.61) TMPRSS4P2RX1P2RX4P2RX7FADS1
SCHEMBL13812650 0.84 KCNMA1 (0.53) TMPRSS4P2RX1P2RX4P2RX7FADS1
SCHEMBL13812680 0.83 MAPT (0.53) TMPRSS4P2RX1P2RX4P2RX7FADS1
SCHEMBL13812592 0.81 TMPRSS4 (0.55) TMPRSS4P2RX1P2RX4P2RX7FADS1
SCHEMBL13812563 0.73 P2RX1 (0.59) TMPRSS4P2RX1P2RX4P2RX7FADS1
SCHEMBL13812671 0.72 KCNMA1 (0.56) TMPRSS4P2RX1P2RX4P2RX7MEN1
SCHEMBL13189548 0.72 P2RX1 (0.74) TMPRSS4P2RX1P2RX4P2RX7NPC1
SCHEMBL18341186 0.72 LRRK2 (0.60) TMPRSS4P2RX1P2RX4P2RX7GAA
SCHEMBL538439 0.70 TMPRSS4 (1.00) TMPRSS4P2RX1P2RX4P2RX7FADS1
SCHEMBL13189704 0.70 P2RX1 (0.67) TMPRSS4P2RX1P2RX4P2RX7FADS1

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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