SCHEMBL8106329

SCHEMBL8106329

CCCCCCCCCCOc1cc[c]cc1N(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 8/20 0.39
THRB P10828 8/20 0.39
CYP19A1 P11511 2/20 0.37
MEN1 O00255 1/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37
SLC6A3 Q01959 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
NR5A1 Q13285 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
ESR1 P03372 2/20 0.35
MCHR1 Q99705 1/20 0.35

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
SCHEMBL27650969 0.89 ALDH1A1 (0.34) CYP19A1MEN1MAPTKMT2AALDH1A1
SCHEMBL7356480 0.84 CCR5 (0.31)
SCHEMBL17416897 0.82 NR5A1 (0.42) THRATHRBMEN1NR1I2LMNA
SCHEMBL6200775 0.82 NR5A1 (0.42) THRATHRBMEN1NR1I2LMNA
SCHEMBL27675673 0.82 ALDH1A1 (0.33) MEN1MAPTKMT2AALDH1A1HPGD
SCHEMBL7111290 0.82 NR5A1 (0.42) THRATHRBMEN1NR1I2LMNA
SCHEMBL1451260 0.82 NR5A1 (0.42) THRATHRBMEN1NR1I2LMNA
SCHEMBL1664104 0.82 NR5A1 (0.42) THRATHRBMEN1NR1I2LMNA
SCHEMBL3458097 0.82 NR5A1 (0.42) THRATHRBMEN1NR1I2LMNA
SCHEMBL27269202 0.82 NR5A1 (0.42) THRATHRBMEN1NR1I2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0632031-B1 CONDENSED BENZOXA RING COMPOUND, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LTD (JP) 2000-05-03 EP disclosed
US-5496853-A FOR TREATING HYPERCHOLESTEROLEMIA TEIJIN LIMITED (JP) 1996-03-05 US disclosed
EP-0632031-A1 CONDENSED BENZOXA RING COMPOUND, PRODUCTION THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME TEIJIN LIMITED (JP) 1995-01-04 EP disclosed