SCHEMBL6673876

SCHEMBL6673876

CC(CO)c1cc(C(C)CO)c(C(C)CO)cc1C(C)CO

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 2/20 0.39
TSHR P16473 2/20 0.39
ABCB11 O95342 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
TRPA1 O75762 4/20 0.34
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
RORC P51449 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
SCHEMBL9248346 0.78 ABCB11 (0.50) ACE2TSHRABCB11TRPA1
SCHEMBL3043989 0.77 TSHR (0.50) ACE2TSHRABCB11TRPA1GABRA1
SCHEMBL6673904 0.75 ABCB11 (0.47) ACE2TSHRABCB11TDP1TRPA1
SCHEMBL12891862 0.75 RORC (0.38) ACE2ABCB11TDP1TRPA1RORC
SCHEMBL27956620 0.75 ACE2 (0.40) ACE2ABCB11TRPA1GABRA1
SCHEMBL28820011 0.75 CA1 (0.39) ACE2TSHRABCB11TRPA1GABRA1
SCHEMBL9093473 0.71 EZH2 (0.33) ACE2ABCB11
SCHEMBL9093091 0.71 EZH2 (0.33) ACE2ABCB11
SCHEMBL20738712 0.71 TRPA1 (0.45) ACE2TDP1TRPA1
SCHEMBL11683236 0.71 TSHR (0.50) TSHRTDP1RORC

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
EP-0901043-B1 Radiation-sensitive resin composition JSR CORP (JP) 2004-10-27 EP disclosed