SCHEMBL247941

SCHEMBL247941

CCC(O)(c1ccccc1OC)c1ccccc1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.48
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA12 O43570 1/20 0.46
CA4 P22748 1/20 0.46
CA14 Q9ULX7 1/20 0.46
GAA P10253 3/20 0.44
TP53 P04637 1/20 0.43
TSHR P16473 1/20 0.43
MEN1 O00255 5/20 0.43
KMT2A Q03164 5/20 0.43
ALDH1A1 P00352 2/20 0.42
CASR P41180 1/20 0.42
ENPP2 Q13822 1/20 0.41
NOS3 P29474 2/20 0.40
NOS1 P29475 2/20 0.40
NOS2 P35228 2/20 0.40
ORAI1 Q96D31 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
SCHEMBL11619787 0.91 SMN1; SMN2 (0.46) ATMCA1CA2CA7CA9
SCHEMBL10740520 0.86 MEN1 (0.46) ATMCA1CA2CA7CA9
SCHEMBL10356407 0.84 TTR (0.43) ATMCA1CA2GAATP53
SCHEMBL6888230 0.81 ATM (0.46) ATMCA1CA2CA7CA9
SCHEMBL10798679 0.80 MCHR1 (0.42) ALDH1A1
SCHEMBL8784494 0.79 CA1 (0.55) ATMCA1CA2CA7CA9
SCHEMBL10856862 0.78 SYK (0.40) ATMGAAMEN1KMT2AALDH1A1
SCHEMBL9520804 0.78 CA1 (0.40) ATMCA1CA2CA7CA9
SCHEMBL10783500 0.78 MEN1 (0.50) GAAMEN1KMT2AALDH1A1NOS3
SCHEMBL10817761 0.78 MEN1 (0.55) ATMMEN1KMT2ATDP1

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
EP-0044158-B1 NOVEL OPTICALLY ACTIVE IMIDAZOLIDIN-2-ONE DERIVATIVES AND THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-08-15 EP claimed
EP-2588441-A2 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR Actavis Group Ptc Ehf (IS) 2013-05-08 EP disclosed
WO-2012001531-A2 NOVEL PROCESSES FOR THE PREPARATION OF PHENYLCYCLOPROPYLAMINE DERIVATIVES AND USE THEREOF FOR PREPARING TICAGRELOR ACTAVIS GROUP PTC EHF (IS) 2012-01-05 WO disclosed
EP-1683782-A2 Chiral copper complex and production processes thereof and using the same Sumitomo Chemical Company, Limited (JP) 2006-07-26 EP disclosed