Sugi Predict

Sugi Predict / Compounds / SCHEMBL8977855

SCHEMBL8977855

SCHEMBL8977855

CCC(CC)(CC)CCOC(=O)C(C)=C(C)C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 2/20 0.33
▸ TSHR P16473 2/20 0.32
▸ CHRM5 P08912 1/20 0.32
▸ CHRM1 P11229 1/20 0.32
▸ CHRM3 P20309 1/20 0.32
▸ ACHE P22303 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.30
▸ LMNA P02545 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL23637 0.84 CHRM5 (0.32) CHRM5CHRM1CHRM3ALDH1A1
SCHEMBL10391730 0.82 CHRM5 (0.31) CHRM5CHRM1CHRM3
SCHEMBL241532 0.79 CHRM5 (0.34) THRBTSHRCHRM5CHRM1CHRM3
SCHEMBL9854151 0.79 CHRM5 (0.34) THRBTSHRCHRM5CHRM1CHRM3
SCHEMBL129272 0.76 TSHR (0.42) THRBTSHRCHRM5CHRM1CHRM3
SCHEMBL7772992 0.76 CHRM5 (0.32) CHRM5CHRM1CHRM3
SCHEMBL11599572 0.76 CHRM5 (0.32) CHRM5CHRM1CHRM3
SCHEMBL169118 0.74 ALDH1A1 (0.37) THRBALDH1A1
SCHEMBL212681 0.74 CHRM5 (0.31) CHRM5CHRM1CHRM3
SCHEMBL3420729 0.74 CHRM5 (0.31) CHRM5CHRM1CHRM3

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
EP-0503156-B1 Process of manufacture of a moulded polymer article based on a water expanded polyacrylic resin SCHOCK & CO GMBH (DE) 1996-05-01 — — EP claimed