SCHEMBL7656852

SCHEMBL7656852

CC(C)[C@H]1COC(=[Se])N1C(=O)C(OCc1ccccc1)C(O)COCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IL6ST P40189 1/20 0.43
KMT2A Q03164 2/20 0.37
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
POLB P06746 1/20 0.35
KLK7 P49862 1/20 0.35
KLK5 Q9Y337 1/20 0.35
SLC1A3 P43003 2/20 0.34
SLC1A2 P43004 2/20 0.34
SLC1A1 P43005 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TACR1 P25103 1/20 0.34

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
SCHEMBL7654809 0.88 IL6ST (0.43) IL6STKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL7659824 0.87 IL6ST (0.45) IL6STKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL7652797 0.86 IL6ST (0.44) IL6STKMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL7652789 0.81 IL6ST (0.42) IL6STKMT2AKLK7KLK5SLC1A3
SCHEMBL7653046 0.80 IL6ST (0.44) IL6ST
SCHEMBL22247084 0.70 SLC1A1 (0.59) KMT2ACA1CA2CA7CA9
SCHEMBL7359508 0.70 IL6ST (0.55) IL6ST
SCHEMBL7359514 0.70 IL6ST (0.55) IL6ST
SCHEMBL2887710 0.69 IL6ST (0.54) IL6STSLC1A1
SCHEMBL2887707 0.69 IL6ST (0.54) IL6STSLC1A1

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-6448409-B1 ACYLATION OF AN 2-OXAZOLIDINESELONE WITH AN ALKYL ACYLHALIDE AND HYDROXYLATION WITH AN ALDEHYDE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-09-10 US disclosed