SCHEMBL9768552

SCHEMBL9768552

COC(OC)c1ccc(COCC2CO2)cn1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
GLA P06280 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
TSHR P16473 5/20 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
ESR1 P03372 2/20 0.33
ESR2 Q92731 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
SMN1; SMN2 Q16637 2/20 0.33
CYP3A4 P08684 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
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
SCHEMBL731016 0.74 TSHR (0.48) ALDH1A1GLATDP1TSHRTP53
Ethylene SCHEMBL28194681 0.70 ALDH1A1 (0.45) ALDH1A1GLATDP1TSHRTP53
SCHEMBL28460059 0.70 PKM (0.51) ALDH1A1TDP1TSHRTP53MAPT
SCHEMBL9234580 0.70 PKM (0.51) ALDH1A1TDP1TSHRTP53MAPT
SCHEMBL9618007 0.70 PKM (0.51) ALDH1A1TDP1TSHRTP53MAPT
SCHEMBL3916038 0.70 ESR1 (0.41) ALDH1A1MAPTESR1ESR2KMT2A
SCHEMBL6224406 0.70 ESR1 (0.38) ALDH1A1MAPTESR1ESR2MAPK1
SCHEMBL21715829 0.70 SMN1; SMN2 (0.44) ALDH1A1GLATDP1TSHRTP53
SCHEMBL31140019 0.70 SMN1; SMN2 (0.44) ALDH1A1GLATDP1TSHRTP53
SCHEMBL9234674 0.70 AGXT (0.44) 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 3 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