SCHEMBL8413623

SCHEMBL8413623

CCCCCc1ccc(OC(=O)O[C@]2(CCC)CC[C@H](C3CCCCC3)CC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
THRB P10828 4/20 0.44
THRA P10827 3/20 0.43
EPHX1 P07099 1/20 0.41
EPHX2 P34913 1/20 0.41
HRH3 Q9Y5N1 3/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ALDH1A1 P00352 1/20 0.36
FAAH O00519 1/20 0.35
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
SPHK1 Q9NYA1 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
SCHEMBL8410990 0.96 THRB (0.44) THRBTHRAEPHX1EPHX2HRH3
SCHEMBL8413818 0.92 KMT2A (0.42) THRBTHRAEPHX2HRH3CYP1A2
SCHEMBL8413150 0.90 KMT2A (0.41) THRBTHRAEPHX1EPHX2HRH3
SCHEMBL8413202 0.84 KMT2A (0.37) EPHX2HPGDMEN1KMT2AFAAH
SCHEMBL8410662 0.84 FAAH (0.37) EPHX2MEN1KMT2AFAAH
SCHEMBL7907310 0.83 THRB (0.46) THRBTHRAEPHX1EPHX2HRH3
SCHEMBL7900609 0.81 THRB (0.46) THRBTHRAEPHX1EPHX2HRH3
SCHEMBL7900571 0.75 KMT2A (0.42) THRBTHRAEPHX1EPHX2HRH3
SCHEMBL7900560 0.74 KMT2A (0.44) THRBTHRAEPHX2HRH3CYP1A2
SCHEMBL29057152 0.74 SPHK1 (0.54) THRBTHRAEPHX1EPHX2SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0394417-B2 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1999-08-04 EP disclosed
EP-0366985-B1 Super twist liquid crystal display MERCK PATENT GMBH (DE) 1994-04-06 EP disclosed
EP-0366985-A1 Super twist liquid crystal display MERCK PATENT GmbH (DE) 1990-05-09 EP disclosed
WO-1990004622-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK Patent Gesellschaft mit beschränkter Haftung (DE) 1990-05-03 WO disclosed