SCHEMBL6758446

SCHEMBL6758446

COc1ccc(C2C(=O)C(=O)C2O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.49
MAOA P21397 2/20 0.49
HPGD P15428 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TP53 P04637 1/20 0.49
MAPT P10636 1/20 0.49
PTGS2 P35354 1/20 0.49
EDNRA P25101 2/20 0.47
EDNRB P24530 1/20 0.47
ALDH1A1 P00352 4/20 0.46
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA12 O43570 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42
CA14 Q9ULX7 1/20 0.42
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
ALOX12 P18054 2/20 0.40

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
SCHEMBL29475777 0.79 RAB9A (0.55) SMN1; SMN2MAOAHPGDNPC1RAB9A
SCHEMBL10844446 0.77 ALDH1A1 (0.62) SMN1; SMN2MAOAHPGDNPC1RAB9A
SCHEMBL7041445 0.77 MAOA (0.49) SMN1; SMN2MAOAHPGDNPC1RAB9A
SCHEMBL24516488 0.74 EDNRA (0.45) SMN1; SMN2MAOAHPGDNPC1RAB9A
SCHEMBL10967159 0.71 ALDH1A1 (0.75) SMN1; SMN2MAOAHPGDNPC1RAB9A
SCHEMBL19337473 0.69 ALDH1A1 (0.54) SMN1; SMN2MAOAHPGDNPC1RAB9A
SCHEMBL3562486 0.69 ALDH1A1 (0.43) SMN1; SMN2HPGDNPC1RAB9AMAPT
SCHEMBL14197582 0.69 CA1 (0.52) SMN1; SMN2MAOAHPGDNPC1RAB9A
SCHEMBL24516982 0.67 EDNRA (0.42) SMN1; SMN2MAOAHPGDNPC1RAB9A
SCHEMBL6950474 0.67 EDNRA (0.74) SMN1; SMN2MAOAHPGDNPC1RAB9A

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-20040232813-A1 Electronic display-use filter and electronic display unit using the filter MITSUBISHI CHEMICAL CORPORATION (JP) 2004-11-25 US disclosed