SCHEMBL9507997

SCHEMBL9507997

COC(OC)c1ccc(OCC2CO2)o1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
GLA P06280 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 4/20 0.41
TP53 P04637 3/20 0.41
HIF1A Q16665 2/20 0.41
CYP3A4 P08684 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPT P10636 2/20 0.41
HPGD P15428 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
CYP1A2 P05177 1/20 0.41
PPARG P37231 1/20 0.41
PKM P14618 2/20 0.39
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
PTPN1 P18031 1/20 0.30
MAPK1 P28482 1/20 0.30

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 0.75 TSHR (0.35) ALDH1A1GLATDP1TSHRTP53
SCHEMBL9511730 0.72 ALDH1A1 (0.57) ALDH1A1GLATDP1TSHRTP53
SCHEMBL10586457 0.67 ALDH1A1 (0.41) ALDH1A1GLATDP1TSHRTP53
SCHEMBL410250 0.65 PKM (0.76) ALDH1A1GLATDP1TSHRTP53
SCHEMBL5994567 0.65 PKM (0.76) ALDH1A1GLATDP1TSHRTP53
SCHEMBL6099389 0.65 PKM (0.76) ALDH1A1GLATDP1TSHRTP53
SCHEMBL4897654 0.65 ALDH1A1 (0.55) ALDH1A1GLATDP1TSHRTP53
SCHEMBL20677146 0.64 TDP1 (0.79) ALDH1A1GLATDP1TSHRTP53
SCHEMBL21094081 0.64 TDP1 (0.79) ALDH1A1GLATDP1TSHRTP53
SCHEMBL50264 0.64 TDP1 (0.79) ALDH1A1GLATDP1TSHRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0283951-B1 POLYSACCHARIDE DERIVATIVES CONTAINING ALDEHYDE GROUPS, THEIR PREPARATION FROM THE CORRESPONDING ACETALS AND USE IN PAPER National Starch and Chemical Investment Holding Corporation (US) 1993-09-08 EP disclosed
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
US-4788280-A Polysaccharide derivatives containing aldehyde groups on an aromatic ring, their preparation from the corresponding acetals and use in paper NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1988-11-29 US disclosed
EP-0283951-A1 Polysaccharide derivatives containing aldehyde groups, their preparation from the corresponding acetals and use in paper National Starch and Chemical Investment Holding Corporation (US) 1988-09-28 EP disclosed