SCHEMBL7640573

SCHEMBL7640573

C=COC(=O)CCCCC(C)(C)C.C=COC(=O)CCCCCC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.43
LMNA P02545 3/20 0.42
ALDH1A1 P00352 1/20 0.42
DGKA P23743 1/20 0.33
ACLY P53396 1/20 0.32
FFAR1 O14842 1/20 0.31
CPT2 P23786 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PAM P19021 2/20 0.31
MAPT P10636 2/20 0.31
ABCC4 O15439 1/20 0.31
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
GAA P10253 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
SCHEMBL28179959 1.00 TSHR (0.43) TSHRLMNAALDH1A1DGKAACLY
SCHEMBL28179961 1.00 TSHR (0.43) TSHRLMNAALDH1A1DGKAACLY
SCHEMBL28180699 1.00 TSHR (0.43) TSHRLMNAALDH1A1DGKAACLY
SCHEMBL3671738 1.00 TSHR (0.43) TSHRLMNAALDH1A1DGKAACLY
SCHEMBL28073588 1.00 TSHR (0.43) TSHRLMNAALDH1A1DGKAACLY
SCHEMBL8370210 1.00 TSHR (0.43) TSHRLMNAALDH1A1DGKAACLY
SCHEMBL28073470 1.00 TSHR (0.43) TSHRLMNAALDH1A1DGKAACLY
SCHEMBL35756 1.00 TSHR (0.43) TSHRLMNAALDH1A1DGKAACLY
SCHEMBL436382 1.00 TSHR (0.43) TSHRLMNAALDH1A1DGKAACLY
Ethylene SCHEMBL27815406 0.98 TSHR (0.42) TSHRLMNAALDH1A1DGKAACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0927204-B1 SELF-CROSSLINKING AQUEOUS DISPERSIONS EASTMAN CHEM CO (US) 2002-11-20 EP disclosed
EP-0927204-A1 SELF-CROSSLINKING AQUEOUS DISPERSIONS EASTMAN CHEMICAL COMPANY (US) 1999-07-07 EP disclosed
US-5919716-A COATING TEXTILE WITH ADDITION POLYMER EASTMAN CHEMICAL COMPANY (US) 1999-07-06 US disclosed
US-5869589-A Self-crosslinking aqueous dispersions HEXION INC. 1999-02-09 US disclosed
WO-1998012237-A1 SELF-CROSSLINKING AQUEOUS DISPERSIONS EASTMAN CHEMICAL COMPANY (US) 1998-03-26 WO disclosed