SCHEMBL5140905

SCHEMBL5140905

CC1=Cc2c(-c3cccc4ccccc34)cccc2C1c1ccc([SiH2]c2ccc(C3C(C)=Cc4c(-c5cccc6ccccc56)cccc43)cc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
DHFR P00374 1/20 0.33
ALOX5 P09917 1/20 0.33
KDM1A O60341 1/20 0.32
MYB P10242 1/20 0.32
ALDH1A1 P00352 2/20 0.31
CYP2A6 P11509 1/20 0.31
CYP2D6 P10635 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
MAOA P21397 1/20 0.30
MAOB P27338 1/20 0.30
ALOX15 P16050 1/20 0.30
KDM4E B2RXH2 1/20 0.30
TDP2 O95551 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL5142617 0.86 CA12 (0.32) CA12CA1CA2CA9
SCHEMBL1238248 0.85 KDM4E (0.32) CA12CA1CA2CA9DHFR
SCHEMBL5080424 0.82 ALDH1A1 (0.33) ALDH1A1
Hydrochloric Acid SCHEMBL4068167 0.76 ALDH1A1 (0.35) CA12CA1CA2CA9DHFR
SCHEMBL17952999 0.76 ALDH1A1 (0.37) CA12CA1CA2CA9DHFR
SCHEMBL5860453 0.76 ALDH1A1 (0.37) CA12CA1CA2CA9DHFR
SCHEMBL30229819 0.76 ALDH1A1 (0.37) CA12CA1CA2CA9DHFR
SCHEMBL8852868 0.75 CA12 (0.36) CA12CA1CA2CA9DHFR
SCHEMBL8200938 0.75 ALDH1A1 (0.34) CA12CA1CA2CA9DHFR
SCHEMBL7252936 0.75 ALDH1A1 (0.36) CA12CA1CA2CA9DHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1954724-A1 SYNDIOTACTIC PROPYLENE ELASTOMERS ExxonMobil Chemical Patents Inc. (US) 2008-08-13 EP disclosed
WO-2007061525-A1 SYNDIOTACTIC PROPYLENE ELASTOMERS EXXONMOBIL CHEMICAL PATENTS INC. (US) 2007-05-31 WO disclosed