SCHEMBL8413818

SCHEMBL8413818

CCCc1ccc(OC(=O)O[C@]2(CCC)CC[C@H](C3CCCCC3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.42
MEN1 O00255 2/20 0.42
THRB P10828 3/20 0.41
PLA2G1B P04054 1/20 0.37
ATG4B Q9Y4P1 1/20 0.37
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
ALDH1A1 P00352 2/20 0.36
HRH3 Q9Y5N1 1/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 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
SCHEMBL8413150 0.93 KMT2A (0.41) KMT2AMEN1THRBPLA2G1BATG4B
SCHEMBL8413623 0.92 THRB (0.44) KMT2AMEN1THRBCYP1A2CYP3A4
SCHEMBL8410990 0.88 THRB (0.44) KMT2AMEN1THRBCYP1A2CYP3A4
SCHEMBL8413202 0.87 KMT2A (0.37) KMT2AMEN1HPGDEPHX2
SCHEMBL7900560 0.81 KMT2A (0.44) KMT2AMEN1THRBPLA2G1BATG4B
SCHEMBL8410662 0.80 FAAH (0.37) KMT2AMEN1EPHX2
SCHEMBL7900571 0.77 KMT2A (0.42) KMT2AMEN1THRBPLA2G1BATG4B
SCHEMBL9355483 0.76 HPGD (0.36) KMT2AMEN1HPGDALDH1A1SMN1; SMN2
SCHEMBL7907310 0.74 THRB (0.46) KMT2AMEN1THRBCYP1A2CYP3A4
SCHEMBL7900609 0.72 THRB (0.46) KMT2AMEN1THRBCYP1A2CYP3A4

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 6 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-0394417-B1 SUPERTWIST LIQUID CRYSTAL DISPLAY MERCK PATENT GMBH (DE) 1994-10-26 EP disclosed
EP-0366985-B1 Super twist liquid crystal display MERCK PATENT GMBH (DE) 1994-04-06 EP disclosed
EP-0394417-A1 SUPERTWIST LIQUID CRYSTAL DISPLAY. MERCK PATENT GMBH (DE) 1990-10-31 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