SCHEMBL9768579

SCHEMBL9768579

COC(OC)c1ccc(CO)s1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
DPP4 P27487 2/20 0.34
ADRA1D P25100 1/20 0.33
ADRA1A P35348 1/20 0.33
ADRA1B P35368 1/20 0.33
CYP2A6 P11509 1/20 0.33

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
SCHEMBL7353046 0.81 MEN1 (0.36) MEN1ALDH1A1GLAMAPTHPGD
SCHEMBL1731502 0.81 MEN1 (0.36) MEN1ALDH1A1GLAMAPTHPGD
SCHEMBL17789931 0.78 MEN1 (0.34) MEN1ALDH1A1GLAMAPTHPGD
SCHEMBL5114694 0.77 MEN1 (0.42) MEN1ALDH1A1GLAMAPTHPGD
SCHEMBL9223316 0.72 DAO (0.45) MEN1ALDH1A1GLAMAPTHPGD
SCHEMBL8532981 0.70 ALOX5 (0.39) ALDH1A1MAPTHPGDKMT2A
SCHEMBL2229904 0.69
SCHEMBL21210990 0.69 MEN1 (0.36) MEN1ALDH1A1GLAMAPTHPGD
SCHEMBL2069257 0.69 CYP2C9 (0.50) MEN1ALDH1A1GLAMAPTHPGD
SCHEMBL9768556 0.69 TSHR (0.34) MEN1ALDH1A1GLAMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5011918-A Siloxane Derivatives Are Useful In Glass Fiber Sizing Compositions NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1991-04-30 US disclosed
US-4929670-A GLASS SIZING COMPOSITIONS NATIONAL STARCH AND CHEMICAL INVESTMENT HOLDING CORPORATION (US) 1990-05-29 US disclosed
US-4839449-A SIZING COMPOSITION FOR GLASS NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1989-06-13 US disclosed
EP-0314063-A2 Polysaccharides containing aromatic aldehydes and their derivatization via amine-aldehyde interactions National Starch and Chemical Corporation (US) 1989-05-03 EP disclosed