SCHEMBL1591676

SCHEMBL1591676

CC(C)(c1ccccc1)c1ccc(N(c2ccccc2)c2ccc(C(C)(C)c3ccccc3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
ESR1 P03372 4/20 0.56
ESR2 Q92731 4/20 0.56
CYP3A4 P08684 3/20 0.56
KDM4E B2RXH2 3/20 0.48
L3MBTL1 Q9Y468 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
NR3C2 P08235 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.42
AR P10275 1/20 0.41
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR6 P50406 1/20 0.41

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
SCHEMBL13049481 0.98 ALDH1A1 (0.52) ALDH1A1ESR1ESR2CYP3A4KDM4E
SCHEMBL17988507 0.98 ALDH1A1 (0.52) ALDH1A1ESR1ESR2CYP3A4KDM4E
SCHEMBL12153728 0.98 ALDH1A1 (0.52) ALDH1A1ESR1ESR2CYP3A4KDM4E
SCHEMBL5424442 0.98 ESR1 (0.58) ALDH1A1ESR1ESR2CYP3A4KDM4E
SCHEMBL26410551 0.92 ALDH1A1 (0.48) ALDH1A1ESR1ESR2CYP3A4KDM4E
SCHEMBL13700827 0.91 ESR1 (0.52) ALDH1A1ESR1ESR2CYP3A4KDM4E
SCHEMBL14129121 0.90 ALDH1A1 (0.45) ALDH1A1ESR1ESR2CYP3A4KDM4E
SCHEMBL26410561 0.90 CYP3A4 (0.50) ALDH1A1ESR1ESR2CYP3A4KDM4E
SCHEMBL26410545 0.90 CYP3A4 (0.50) ALDH1A1ESR1ESR2CYP3A4KDM4E
SCHEMBL26410671 0.90 CYP3A4 (0.50) ALDH1A1ESR1ESR2CYP3A4KDM4E

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
US-8350000-B2 Polymer and copolymer and method of making the same NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOGY (TW) 2013-01-08 US disclosed
US-20110092657-A1 Novel Polymer and Copolymer and Method of Making the Same NATIONAL TAIWAN UNIVERSITY OF SCIENCE AND TECHNOLOY (TW) 2011-04-21 US disclosed
EP-1325069-B1 THERMOPLASTIC RESINS STABILIZED BY BLENDS OF STERICALLY HINDERED PHENOLS,SECONDARY AMINES, AND LACTONES UNIROYAL CHEM CO INC (US) 2006-02-22 EP disclosed