SCHEMBL9768605

SCHEMBL9768605

O=Cc1ccc(COCC2CO2)o1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
TSHR P16473 4/20 0.46
TDP1 Q9NUW8 1/20 0.34
SMN1; SMN2 Q16637 3/20 0.33
TP53 P04637 2/20 0.33
GAA P10253 2/20 0.33
MDM2 Q00987 1/20 0.33
CYP3A4 P08684 1/20 0.33
HIF1A Q16665 1/20 0.33
MAPT P10636 1/20 0.33
LMNA P02545 1/20 0.33
PKM P14618 1/20 0.33
POLB P06746 2/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPK1 P28482 1/20 0.33
MGLL Q99685 2/20 0.32
GLA P06280 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
SCHEMBL20080451 0.83 TSHR (0.45) ALDH1A1TSHRTDP1SMN1; SMN2TP53
SCHEMBL12017369 0.83 TSHR (0.45) ALDH1A1TSHRTDP1SMN1; SMN2TP53
SCHEMBL23509547 0.83 TSHR (0.45) ALDH1A1TSHRTDP1SMN1; SMN2TP53
SCHEMBL278333 0.81 ALDH1A1 (0.61) ALDH1A1TSHRTDP1SMN1; SMN2TP53
SCHEMBL13238227 0.79 ALDH1A1 (0.36) ALDH1A1TSHRTP53MDM2MAPT
SCHEMBL24440752 0.78 MAPT (0.40) ALDH1A1TDP1SMN1; SMN2GAACYP3A4
SCHEMBL12017373 0.78 TSHR (0.41) ALDH1A1TSHRTDP1SMN1; SMN2TP53
SCHEMBL17693406 0.78 ALDH1A1 (0.57) ALDH1A1TSHRTDP1SMN1; SMN2TP53
SCHEMBL16715946 0.76 SMN1; SMN2 (0.42) ALDH1A1TSHRTDP1SMN1; SMN2TP53
SCHEMBL16715745 0.76 TSHR (0.42) ALDH1A1TSHRTDP1SMN1; SMN2TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7754823-B2 Vegetable based dioxanone derivatives, synthesis and uses thereof ARCHER-DANIELS-MIDLAND COMPANY (US) 2010-07-13 US disclosed
US-7754823-B2 Vegetable based dioxanone derivatives, synthesis and uses thereof ARCHER-DANIELS-MIDLAND COMPANY (US) 2010-07-13 US 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