SCHEMBL7780907

SCHEMBL7780907

C(OCC1CO1)C1CO1.CCCCCCCCCCCC=CCCc1ccccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 3/20 0.46
F3 P13726 3/20 0.46
MMP2 P08253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
ECE1 P42892 1/20 0.46
SGMS1 Q86VZ5 1/20 0.46
SGMS2 Q8NHU3 1/20 0.46
MUS81 Q96NY9 1/20 0.46
HSD17B10 Q99714 1/20 0.46
SAE1 Q9UBE0 1/20 0.46
BID P55957 3/20 0.43
BCL2L1 Q07817 3/20 0.43
MCL1 Q07820 3/20 0.43
BAK1 Q16611 3/20 0.43
ALDH1A1 P00352 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ENPP2 Q13822 5/20 0.40
LPAR2 Q9HBW0 2/20 0.40

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
SCHEMBL413662 0.88 TDP1 (0.49) MAPTALOX15SAE1BIDBCL2L1
SCHEMBL9350609 0.88 TDP1 (0.49) MAPTALOX15SAE1BIDBCL2L1
SCHEMBL21552431 0.88 TDP1 (0.49) MAPTALOX15SAE1BIDBCL2L1
SCHEMBL29256323 0.88 TDP1 (0.49) MAPTALOX15SAE1BIDBCL2L1
SCHEMBL8750967 0.88 TDP1 (0.49) MAPTALOX15SAE1BIDBCL2L1
SCHEMBL1003516 0.88 TDP1 (0.49) MAPTALOX15SAE1BIDBCL2L1
SCHEMBL2123587 0.85 SMN1; SMN2 (0.46) SAE1BIDBCL2L1MCL1BAK1
Ethylene Glycol SCHEMBL11518185 0.84 TDP1 (0.46) MAPTALOX15SAE1BIDBCL2L1
SCHEMBL16535316 0.83 F7 (0.59) F7F3MMP2KDM4EMAPT
SCHEMBL16535940 0.83 F7 (0.59) F7F3MMP2KDM4EMAPT

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
EP-0718310-B1 Dual functional cellulosic additives for latex compositions UNION CARBIDE CHEM PLASTIC (US) 2001-10-10 EP disclosed
US-5583214-A CELLULOSE ETHER CONTAINING HYDROPHOBIC ALKENE-TYPE SUBSTITUENT; HARDNESS, DURABILITY, THICKENING AND RHEOLOGY MODIFICATION UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-12-10 US disclosed
EP-0718310-A2 Dual functional cellulosic additives for latex compositions UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-06-26 EP disclosed
US-5504123-A AQUEOUS MIXTURE WITH THICKENER OF CROSSLINKABLE CELLULOSE ETHER WHICH HAS HYDROPHOBIC ALKENE SUBSTITUENT UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) 1996-04-02 US disclosed