SCHEMBL9045968

SCHEMBL9045968

C=CCOC(C=C(C)C)c1ccc2[nH]c(=O)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.40
CA9 Q16790 2/20 0.40
F11 P03951 1/20 0.38
MAPT P10636 4/20 0.37
THRB P10828 1/20 0.37
AR P10275 1/20 0.34
PDE3B Q13370 3/20 0.32
PDE3A Q14432 3/20 0.32
LMNA P02545 3/20 0.32
POLB P06746 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
MAPK1 P28482 1/20 0.32
CA1 P00915 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 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
SCHEMBL9046052 0.93 CA12 (0.35) CA12CA9F11MAPTTHRB
SCHEMBL7854620 0.70 CA12 (0.54) CA12CA9F11ARPDE3B
SCHEMBL2797664 0.68 MAPT (0.59) CA12CA9F11MAPTTHRB
SCHEMBL21366585 0.68 CA12 (0.54) CA12CA9F11MAPTTHRB
SCHEMBL10053496 0.67 MAPT (0.54) CA12CA9F11MAPTTHRB
SCHEMBL9251438 0.66 CA12 (0.56) CA12CA9F11MAPTTHRB
SCHEMBL10492996 0.63 CA12 (0.42) CA12CA9F11MAPTTHRB
SCHEMBL3368797 0.63 CA12 (0.60) CA12CA9F11ARPDE3B
SCHEMBL7854069 0.63 CA12 (0.52) CA12CA9MAPTLMNACA1
SCHEMBL9269642 0.62 CA12 (0.54) CA12CA9F11MAPTTHRB

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-0719258-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed
WO-1996002508-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-02-01 WO disclosed