SCHEMBL6571126

SCHEMBL6571126

c1ccc(C2OOC2c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
EPHX1 P07099 3/20 0.41
CYP2C19 P33261 5/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOA P21397 7/20 0.39
MAOB P27338 7/20 0.39
KDM1A O60341 5/20 0.39
CYP2B6 P20813 3/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C9 P11712 2/20 0.39
SLC6A2 P23975 2/20 0.39
ADRA1A P35348 2/20 0.39
SLC6A3 Q01959 2/20 0.39
TAAR1 Q96RJ0 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39

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
Bromide SCHEMBL30128653 0.84 TSHR (0.42) TSHREPHX1CYP2C19MEN1KMT2A
SCHEMBL20734792 0.80 EPHX1 (0.39) TSHREPHX1CYP2C19MEN1KMT2A
SCHEMBL270441 0.79 EPHX1 (0.52) TSHREPHX1CYP2C19MEN1KMT2A
SCHEMBL1103798 0.79 EPHX1 (0.52) TSHREPHX1CYP2C19MEN1KMT2A
SCHEMBL1199563 0.79 EPHX1 (0.52) TSHREPHX1CYP2C19MEN1KMT2A
SCHEMBL3644410 0.79 EPHX1 (0.52) TSHREPHX1CYP2C19MEN1KMT2A
SCHEMBL12914371 0.79 EPHX1 (0.52) TSHREPHX1CYP2C19MEN1KMT2A
SCHEMBL63809 0.79 EPHX1 (0.52) TSHREPHX1CYP2C19MEN1KMT2A
SCHEMBL1199046 0.79 EPHX1 (0.52) TSHREPHX1CYP2C19MEN1KMT2A
SCHEMBL4620835 0.78 SLC6A2 (0.43) TSHREPHX1CYP2C19MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101151271-A Process for producing titanium alkoxide complex SUMITOMO CHEMICAL CO (JP) 2008-03-26 CN disclosed
EP-0970964-B1 Method for producing a titanium complex SUMITOMO CHEMICAL CO (JP) 2004-04-21 EP disclosed
US-6090961-A Method for producing titanium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-07-18 US disclosed
EP-0970964-A2 Method for producing titanium complex SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-12 EP disclosed