SCHEMBL9768556

SCHEMBL9768556

COC(OC)c1ccc(COCC2CO2)s1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.34
MAPK1 P28482 1/20 0.34
ALDH1A1 P00352 6/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GLA P06280 1/20 0.33
TDP1 Q9NUW8 2/20 0.33
TP53 P04637 3/20 0.32
MAPT P10636 2/20 0.32
HPGD P15428 2/20 0.32
HIF1A Q16665 2/20 0.32
MEN1 O00255 1/20 0.32
CYP1A2 P05177 1/20 0.32
KMT2A Q03164 1/20 0.32
PPARG P37231 1/20 0.32
CYP3A4 P08684 1/20 0.32
PKM P14618 1/20 0.31

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
SCHEMBL9509423 0.72 TSHR (0.35) TSHRMAPK1ALDH1A1SMN1; SMN2GLA
SCHEMBL9768579 0.69 MEN1 (0.38) ALDH1A1GLAMAPTHPGDMEN1
SCHEMBL9768552 0.68 ALDH1A1 (0.34) TSHRMAPK1ALDH1A1SMN1; SMN2GLA
SCHEMBL731016 0.66 TSHR (0.48) TSHRMAPK1ALDH1A1SMN1; SMN2GLA
SCHEMBL21895767 0.65 TDP1 (0.42) TSHRMAPK1ALDH1A1SMN1; SMN2GLA
SCHEMBL10846097 0.65 IDO1 (0.50) ALDH1A1GLATDP1MAPTHPGD
SCHEMBL14397248 0.64 TSHR (0.52) TSHRMAPK1ALDH1A1SMN1; SMN2GLA
SCHEMBL730323 0.64 TSHR (0.52) TSHRMAPK1ALDH1A1SMN1; SMN2GLA
SCHEMBL9618007 0.64 PKM (0.51) TSHRALDH1A1SMN1; SMN2TDP1TP53
SCHEMBL28460059 0.64 PKM (0.51) TSHRALDH1A1SMN1; SMN2TDP1TP53

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