SCHEMBL9509423

SCHEMBL9509423

COC(OC)c1ccc(COCC2CO2)o1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 7/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GLA P06280 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
ALOX5 P09917 2/20 0.33
TP53 P04637 3/20 0.33
MAPT P10636 3/20 0.33
HPGD P15428 2/20 0.33
HIF1A Q16665 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP1A2 P05177 1/20 0.33
PPARG P37231 1/20 0.33
CYP3A4 P08684 1/20 0.33
PKM P14618 1/20 0.32

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
SCHEMBL12017369 0.82 TSHR (0.45) TSHRMAPK1ALDH1A1SMN1; SMN2GLA
SCHEMBL20080451 0.82 TSHR (0.45) TSHRMAPK1ALDH1A1SMN1; SMN2GLA
SCHEMBL23509547 0.82 TSHR (0.45) TSHRMAPK1ALDH1A1SMN1; SMN2GLA
SCHEMBL16715946 0.78 SMN1; SMN2 (0.42) TSHRMAPK1ALDH1A1SMN1; SMN2GLA
SCHEMBL12017373 0.77 TSHR (0.41) TSHRMAPK1ALDH1A1SMN1; SMN2GLA
SCHEMBL14822315 0.76 ALOX5 (0.34) ALDH1A1ALOX5MAPTMEN1KMT2A
SCHEMBL9507997 0.75 ALDH1A1 (0.42) TSHRMAPK1ALDH1A1SMN1; SMN2GLA
SCHEMBL16715745 0.74 TSHR (0.42) TSHRMAPK1ALDH1A1SMN1; SMN2GLA
SCHEMBL12017374 0.74 TSHR (0.43) TSHRMAPK1ALDH1A1SMN1; SMN2GLA
SCHEMBL10261290 0.74 CYP2D6 (0.36) TSHRMAPK1ALDH1A1SMN1; SMN2GLA

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