SCHEMBL7581073

SCHEMBL7581073

CC(O)Sc1ccc(Sc2ccc(SC(C)O)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.43
BCL2 P10415 4/20 0.42
MCL1 Q07820 4/20 0.42
HPGD P15428 4/20 0.41
LMNA P02545 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
TSHR P16473 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
SLC6A4 P31645 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A1 P00352 1/20 0.35
ADRA2A P08913 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL7297682 0.80 CYP3A4 (0.46) BCL2MCL1TSHRCYP3A4MAPK1
SCHEMBL13481477 0.80 MAOA (0.45) BCL2MCL1CYP3A4MEN1KMT2A
SCHEMBL95522 0.79 LMNA (0.42) HPGDLMNAL3MBTL1MAPK1ALDH1A1
SCHEMBL3260497 0.77 ESR1 (0.44) HPGDLMNATSHRCYP3A4SLC6A4
SCHEMBL4456617 0.77 ALDH1A1 (0.48) HPGDTSHRALDH1A1TDP1
SCHEMBL7349599 0.75 MEN1 (0.46) HPGDLMNATSHRCYP3A4MEN1
SCHEMBL11707298 0.75
SCHEMBL6840528 0.75 HTT (0.58) HPGDLMNATSHRMAPK1KMT2A
SCHEMBL7353270 0.72 ALDH1A1 (0.49) HPGDLMNAMAPK1MEN1KMT2A
SCHEMBL4640609 0.70 EPHX1 (0.61) TSHRCYP3A4MEN1KMT2ACYP1A2

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-0795765-B1 Photopolymerizable composition and transparent cured product thereof TOKUYAMA CORP (JP) 2002-09-25 EP disclosed
US-5880170-A TRANSPARENT LENSES FORMED BY CURING TOKUYAMA CORPORATION (JP) 1999-03-09 US disclosed
EP-0795765-A2 Photopolymerizable composition and transparent cured product thereof TOKUYAMA CORPORATION (JP) 1997-09-17 EP disclosed