SCHEMBL8677315

SCHEMBL8677315

CCCCC(C)(CCC)C(O)O

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.32
TSHR P16473 1/20 0.31
ALDH1A1 P00352 1/20 0.30
ESR1 P03372 1/20 0.30
ESR2 Q92731 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
SCHEMBL31190492 0.89 TSHR (0.36) FDPSTSHRALDH1A1
SCHEMBL11040841 0.85 SPHK1 (0.32) FDPSTSHRALDH1A1ESR1ESR2
SCHEMBL22569218 0.85 GGPS1 (0.41) FDPSTSHR
SCHEMBL28433028 0.85 GGPS1 (0.41) FDPSTSHR
SCHEMBL36734 0.85 FDPS (0.32) FDPSTSHRESR1ESR2
SCHEMBL15326277 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8608565 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL28363768 0.79
SCHEMBL10226715 0.79 TSHR (0.33) TSHR
SCHEMBL11043114 0.78 FDPS (0.35) FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0856019-A1 COATING AGENT COMPRISING AT LEAST THREE COMPONENTS, PROCESS FOR ITS PREPARATION AND ITS USE BASF Coatings Aktiengesellschaft (DE) 1998-08-05 EP disclosed
WO-1997014731-A1 COATING AGENT COMPRISING AT LEAST THREE COMPONENTS, PROCESS FOR ITS PREPARATION AND ITS USE BASF LACKE + FARBEN AG (DE) 1997-04-24 WO disclosed