SCHEMBL8920856

SCHEMBL8920856

CCCCCCCCCCC1(CCCCCCCCCC)C(=O)OC(=O)C1(CCCCCCCCCC)CCCCCCCCCC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.38
TSHR P16473 2/20 0.36
THRB P10828 1/20 0.36
MMP2 P08253 3/20 0.36
MMP9 P14780 3/20 0.36
MMP3 P08254 1/20 0.36
MMP8 P22894 2/20 0.35
MMP13 P45452 2/20 0.35
CDC25B P30305 8/20 0.34
CDC25A P30304 6/20 0.34
CDC25C P30307 5/20 0.34
PTPN1 P18031 3/20 0.34
ACP1 P24666 2/20 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
SCHEMBL25205553 1.00 SIRT2 (0.38) SIRT2TSHRTHRBMMP2MMP9
SCHEMBL27990757 0.77 PTPN1 (0.34) SIRT2MMP2MMP9MMP3MMP8
SCHEMBL9721856 0.71 ELANE (0.39) MMP2MMP9MMP8MMP13
SCHEMBL21958419 0.71 MMP2 (0.41) SIRT2TSHRTHRBMMP2MMP9
SCHEMBL3679622 0.69 MMP2 (0.46) SIRT2TSHRTHRBMMP2MMP9
SCHEMBL3679490 0.69 MMP2 (0.46) SIRT2TSHRTHRBMMP2MMP9
SCHEMBL31090688 0.69 PTPN1 (0.37) SIRT2TSHRTHRBCDC25BPTPN1
SCHEMBL3684753 0.69 MMP2 (0.46) SIRT2TSHRTHRBMMP2MMP9
Hexadecane SCHEMBL21433653 0.64 TSHR (0.58) SIRT2TSHRTHRBCDC25BCDC25A
Tetradecane SCHEMBL25218208 0.64 MGLL (0.46) TSHRTHRBCDC25BCDC25ACDC25C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4650612-A ANHYDRIDE AND HYDROGEN PEROXIDE IN PRESENCE OF ANION EXCHANGE RESIN DEGUSSA AKTIENGESELLSCHAFT (DE) 1987-03-17 US claimed
US-20200171214-A1 BIORESORBABLE SURFACE COATING FOR DELAYING DEGRADATION DREI LILIEN PVG GMBH & CO. KG (DE) 2020-06-04 US disclosed
US-5668244-A UNSATURATED EPOXIDES TOYO INK MANUFACTURING CO., LTD. (JP) 1997-09-16 US disclosed
EP-0687698-A2 Liquid polyester TOYO INK MANUFACTURING CO., LTD. (JP) 1995-12-20 EP disclosed
US-4650612-A ANHYDRIDE AND HYDROGEN PEROXIDE IN PRESENCE OF ANION EXCHANGE RESIN DEGUSSA AKTIENGESELLSCHAFT (DE) 1987-03-17 US disclosed