SCHEMBL627600

SCHEMBL627600

OC(CCCCCCCSSCC(O)COc1ccccc1-c1ccccc1)COc1ccccc1-c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.48
ADRB1 P08588 1/20 0.48
CYP1A2 P05177 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TP53 P04637 2/20 0.44
CYP2D6 P10635 2/20 0.44
MAPT P10636 1/20 0.44
ADRA1A P35348 1/20 0.44
TSHR P16473 1/20 0.44
CYP2C19 P33261 1/20 0.44
LMNA P02545 2/20 0.38
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
KDM4E B2RXH2 3/20 0.36
HTR7 P34969 2/20 0.36
HTR1A P08908 1/20 0.36
AGTR1 P30556 1/20 0.36
MEN1 O00255 2/20 0.36

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
SCHEMBL15262593 1.00 ADRB2 (0.48) ADRB2ADRB1CYP1A2ALDH1A1TP53
SCHEMBL15263122 1.00 ADRB2 (0.48) ADRB2ADRB1CYP1A2ALDH1A1TP53
SCHEMBL15263013 0.99 ADRB2 (0.49) ADRB2ADRB1CYP1A2ALDH1A1TP53
SCHEMBL18759370 0.95 ADRB2 (0.50) ADRB2ADRB1CYP1A2ALDH1A1TP53
SCHEMBL628327 0.85 ADRB2 (0.61) ADRB2ADRB1CYP1A2ALDH1A1TP53
SCHEMBL15262647 0.78 PRMT5 (0.45) KMT2A
SCHEMBL27838229 0.78 ADRB2 (0.59) ADRB2ADRB1CYP1A2ALDH1A1TP53
SCHEMBL10485548 0.74 ADRB2 (0.58) ADRB2ADRB1CYP1A2ALDH1A1TP53
SCHEMBL15261967 0.74 ADRB2 (0.52) ADRB2ADRB1CYP1A2ALDH1A1TP53
SCHEMBL10408230 0.74 ADRB2 (0.64) ADRB2ADRB1CYP1A2ALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603488-B1 DIFUNCTIONAL (METH)ACRYLATE WRITING MONOMERS COVESTRO DEUTSCHLAND AG (DE) 2017-04-26 EP disclosed
US-9057946-B2 Difunctional (meth)acrylate writing monomers BAYER INTELLECTUAL PROPERTY GMBH (DE) 2015-06-16 US disclosed
US-20130252140-A1 DIFUNCTIONAL (METH)ACRYLATE WRITING MONOMERS BAYER MATERIALSCIENCE AG (DE) 2013-09-26 US disclosed
EP-2603488-A1 DIFUNCTIONAL (METH)ACRYLATE WRITING MONOMERS Bayer Intellectual Property GmbH (DE) 2013-06-19 EP disclosed
WO-2012020061-A1 DIFUNCTIONAL (METH)ACRYLATE WRITING MONOMERS BAYER MATERIALSCIENCE AG (DE) 2012-02-16 WO disclosed