SCHEMBL8429413

SCHEMBL8429413

COc1ccc(C(c2ccc(OC)cc2)C(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PBRM1 Q86U86 1/20 0.62
ACP3 P15309 1/20 0.60
CA4 P22748 1/20 0.59
LTA4H P09960 2/20 0.56
ALDH1A1 P00352 4/20 0.55
CA12 O43570 1/20 0.52
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
TRPA1 O75762 1/20 0.50
L3MBTL1 Q9Y468 2/20 0.49
NR3C1 P04150 1/20 0.49
PGR P06401 1/20 0.49
NR3C2 P08235 1/20 0.49
AR P10275 1/20 0.49
TDP1 Q9NUW8 2/20 0.48
TSHR P16473 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL5941221 1.00 PBRM1 (0.62) PBRM1ACP3CA4LTA4HALDH1A1
SCHEMBL19077747 0.90 CA1 (0.65) PBRM1ACP3CA4LTA4HALDH1A1
SCHEMBL682837 0.89 CA4 (0.58) PBRM1ACP3CA4LTA4HALDH1A1
SCHEMBL13164290 0.89 CA4 (0.58) PBRM1ACP3CA4LTA4HALDH1A1
SCHEMBL13295540 0.86 SLC2A1 (0.61) PBRM1ACP3CA4LTA4HALDH1A1
SCHEMBL40557 0.86 SLC2A1 (0.61) PBRM1ACP3CA4LTA4HALDH1A1
SCHEMBL34971 0.86 SLC2A1 (0.61) PBRM1ACP3CA4LTA4HALDH1A1
SCHEMBL14205685 0.86 SLC2A1 (0.61) PBRM1ACP3CA4LTA4HALDH1A1
SCHEMBL13295537 0.86 SLC2A1 (0.61) PBRM1ACP3CA4LTA4HALDH1A1
SCHEMBL13295535 0.86 SLC2A1 (0.61) PBRM1ACP3CA4LTA4HALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877321-A NEUROKININ RECEPTOR SANOFI (FR) 1999-03-02 US claimed