SCHEMBL4451857

SCHEMBL4451857

CO[PH](C)(OC)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA4 P22748 2/20 0.39
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
PDE4B Q07343 1/20 0.34
LTA4H P09960 3/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 3/20 0.32
ALDH1A1 P00352 3/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
LMNA P02545 1/20 0.32
ALOX12 P18054 1/20 0.32
ACHE P22303 1/20 0.32
MITF O75030 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
SCHEMBL4454269 0.78 CA4 (0.39) CA4CA12CA1CA2CA7
SCHEMBL9858177 0.78 CA4 (0.39) CA4CA12CA1CA2CA7
SCHEMBL304959 0.74 CA4 (0.41) CA4CA12CA1CA2CA7
SCHEMBL365674 0.74 CA4 (0.41) CA4CA12CA1CA2CA7
SCHEMBL8806890 0.74 CA4 (0.41) CA4CA12CA1CA2CA7
SCHEMBL4452083 0.74 CA4 (0.42) CA4CA1CA2CA9LTA4H
SCHEMBL11414730 0.74 CA4 (0.36) CA4CA12CA1CA2CA7
SCHEMBL29051167 0.72 CA4 (0.39) CA4CA12CA1CA2CA7
SCHEMBL29003944 0.72 CA4 (0.39) CA4CA12CA1CA2CA7
SCHEMBL29051175 0.72 CA4 (0.39) CA4CA12CA1CA2CA7

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
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed
CN-1898325-A Polymer blends with improved notched impact strength EASTMAN CHEM CO (US) 2007-01-17 CN disclosed
CN-1013117-B PROCESS FOR PREPARATING HARDENING PRODUCTS BASED ON OLEFINIC UNSATURATED COMPOUNDS AND COMPOUNDS CONTAINING ACTIVE HYDROGEN AND THE USE THEREOF THE SYSTEM IN DOUBLE COMPOSITIONS PAINT HOECHST AG (DE) 1991-07-10 CN disclosed
CN-86107731-A Is the method and the application of this system in double compositions paint of feedstock production cured product with alefinically unsaturated compounds with the compound that contains reactive hydrogen 1987-06-17 CN disclosed