SCHEMBL5455525

SCHEMBL5455525

C=C1C(=O)NC(=O)C1c1cccc(C)c1C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 4/20 0.43
HTR2C P28335 5/20 0.39
HTR2A P28223 3/20 0.36
HTR2B P41595 3/20 0.36
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
DAO P14920 1/20 0.34
TNKS2 Q9H2K2 1/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
GSK3B P49841 1/20 0.31

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
SCHEMBL27627949 0.80 HTR2C (0.43) PBRM1HTR2CHTR2AHTR2BDDB1
SCHEMBL2343869 0.74 CACNB4 (0.39) PBRM1HTR2CHTR2AHTR2BDAO
SCHEMBL6870977 0.70 TTR (0.33)
SCHEMBL2346396 0.69 KMT2A (0.46) HTR2CHTR2BALDH1A1CYP1A2CYP3A4
SCHEMBL2341298 0.68 MAPT (0.42) PBRM1HTR2BDDB1CRBNTNKS2
SCHEMBL2346045 0.68 CACNA1F (0.38) HTR2CHTR2BALDH1A1CYP1A2CYP3A4
SCHEMBL11686278 0.67 DDB1 (0.44) PBRM1HTR2CHTR2AHTR2BDDB1
SCHEMBL5814880 0.66 IDO1 (0.58) HTR2CDDB1CRBNALDH1A1
SCHEMBL9802951 0.65 DDB1 (0.49) PBRM1HTR2CHTR2AHTR2BDDB1
SCHEMBL29875704 0.64 HTR2C (0.44) PBRM1HTR2CHTR2AHTR2BTNKS2

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-20130187095-A1 THERMOSETTING ADHESIVE COMPOSITIONS DESIGNER MOLECULES, INC. (US) 2013-07-25 US disclosed
US-8378017-B2 Thermosetting adhesive compositions DESIGNER MOLECULES, INC. (US) 2013-02-19 US disclosed
US-20070155869-A1 Mono-functional monomers and methods for use thereof DESIGNER MOLECULES, INC. 2007-07-05 US disclosed