SCHEMBL8775726

SCHEMBL8775726

COc1ccc[c]c1OC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.39
CA2 P00918 3/20 0.39
CA7 P43166 2/20 0.39
CA9 Q16790 2/20 0.39
CA12 O43570 1/20 0.39
CA4 P22748 1/20 0.39
CA14 Q9ULX7 1/20 0.39
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.34
ALDH1A1 P00352 4/20 0.33
TP53 P04637 2/20 0.33
ADRA2B P18089 2/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
TSHR P16473 1/20 0.33
PTGS1 P23219 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPK1 P28482 2/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL1819088 0.88 IRAK4 (0.39) CA1CA2CA7CA9KMT2A
SCHEMBL16962943 0.85 NPSR1 (0.37) CA1CA2CA7CA9CA12
SCHEMBL11111320 0.84 APP (0.40) CA1CA2CA7CA9CA12
SCHEMBL1067817 0.83 CA1 (0.38) CA1CA2CA7CA9CA12
SCHEMBL2479629 0.82 CA12 (0.34) CA1CA2CA7CA9CA12
SCHEMBL123985 0.81 CA1 (0.48) CA1CA2CA7CA9CA12
SCHEMBL11128545 0.80 ALDH1A1 (0.39) KMT2ANPSR1ALDH1A1ADRA2BTDP1
SCHEMBL28053410 0.79 CA1 (0.46) CA1CA2CA7CA9CA12
SCHEMBL27272029 0.78 CA1 (0.44) CA1CA2CA7CA9CA12
SCHEMBL4831987 0.78 NPSR1 (0.36) KMT2ANPSR1ALDH1A1TP53TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0560724-B1 Benzoyl substituted phosphabicycloalcanes and their sulphides as photoinitiators CIBA GEIGY AG (CH) 1997-09-24 EP disclosed
US-5399782-A Addition polymerization, paints CIBA-GEIGY CORPORATION (US) 1995-03-21 US disclosed
EP-0560724-A1 Benzoyl substituted phosphabicycloalcanes and their sulphides as photoinitiators CIBA-GEIGY AG (CH) 1993-09-15 EP disclosed