SCHEMBL13619700

SCHEMBL13619700

CC(=O)C(CCC(C)C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
CTDSP1 Q9GZU7 1/20 0.51
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
ALOX5 P09917 1/20 0.42
CYP2C19 P33261 1/20 0.42
EPHX1 P07099 1/20 0.42
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 1/20 0.41
AOC3 Q16853 1/20 0.41
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
APAF1 O14727 1/20 0.40

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
SCHEMBL1716620 0.86 POLB (0.53) POLBCTDSP1ALOX5CYP2C19EPHX1
SCHEMBL13658246 0.83 POLB (0.50) POLBCTDSP1MTNR1AMTNR1BALOX5
SCHEMBL2120942 0.82 CTSS (0.49) POLBCTDSP1MTNR1AMTNR1BCYP2C19
SCHEMBL13385031 0.82 CYP2C19 (0.49) POLBMTNR1AMTNR1BCYP2C19EPHX1
SCHEMBL4441244 0.82 TRPA1 (0.47) POLBMTNR1AMTNR1BCYP2C19EPHX1
SCHEMBL5610660 0.81 HPGD (0.47) POLBMTNR1AMTNR1BALOX5CYP2C19
SCHEMBL8903384 0.81 ALDH1A1 (0.46) POLBMTNR1AMTNR1BCYP2C19EPHX1
SCHEMBL12824732 0.81 HRH1 (0.52) MTNR1AMTNR1BALOX5CYP2C19EPHX1
SCHEMBL7006798 0.80 ALPI (0.50) POLBCYP2C19EPHX1
SCHEMBL13684889 0.80 KMT2A (0.55) POLBCTDSP1LMNAALDH1A1ESR1

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
WO-2009134616-A2 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2009-11-05 WO disclosed