SCHEMBL11765258

SCHEMBL11765258

C=CC(CC=CCC)CCCCC

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRM1 P35372 1/20 0.32
FFAR1 O14842 1/20 0.32
FFAR4 Q5NUL3 1/20 0.32
LMNA P02545 1/20 0.30
PTGS1 P23219 1/20 0.30
PPARG P37231 1/20 0.30
OPRK1 P41145 1/20 0.30
ABCG2 Q9UNQ0 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL11365470 0.98 TSHR (0.35) TSHRSMN1; SMN2OPRM1FFAR1FFAR4
SCHEMBL23142415 0.98 TSHR (0.35) TSHRSMN1; SMN2OPRM1FFAR1FFAR4
SCHEMBL11599041 0.98 TSHR (0.35) TSHRSMN1; SMN2OPRM1FFAR1FFAR4
SCHEMBL8945258 0.94 TSHR (0.39) TSHRSMN1; SMN2ALDH1A1
SCHEMBL3687450 0.86 FFAR1 (0.37) TSHRSMN1; SMN2FFAR1FFAR4PTGS1
SCHEMBL9580842 0.85
SCHEMBL9244360 0.85 FFAR1 (0.46) TSHRFFAR1FFAR4LMNAPTGS1
SCHEMBL28246293 0.85 FFAR1 (0.46) TSHRFFAR1FFAR4LMNAPTGS1
SCHEMBL9724790 0.80 TSHR (0.42) TSHRSMN1; SMN2OPRM1LMNAALDH1A1
SCHEMBL9308196 0.80 TSHR (0.39) TSHRSMN1; SMN2FFAR1FFAR4PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4028431-A ETHYLENE-HEXAFLUOROPROPYLENE POLYMER, SILICONE RUBBERS, AND VINYLIDENE FLUORIDE COPOLYMER DAIKIN KOGYO CO., LTD. (JA) 1977-06-07 US disclosed