SCHEMBL11037170

SCHEMBL11037170

CC1(CC(=O)O)CCCO1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.38
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 2/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
BLM P54132 1/20 0.35
CACNA2D1 P54289 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HTT P42858 1/20 0.33
MAPK1 P28482 1/20 0.32
FFAR3 O14843 1/20 0.31
GLS O94925 1/20 0.31
GABRA5 P31644 1/20 0.30
GABRB2 P47870 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
SCHEMBL27838230 0.79
SCHEMBL1573713 0.75
SCHEMBL18141936 0.75 MAPK1 (0.39) MAPK1GLS
SCHEMBL11312482 0.73 CYP2C19 (0.36) TSHRCYP2C19L3MBTL1ALDH1A1CYP1A2
SCHEMBL29441195 0.73
SCHEMBL2002220 0.73
SCHEMBL6826055 0.72 CYP2C19 (0.39) TSHRCYP2C19L3MBTL1ALDH1A1CYP1A2
SCHEMBL29147410 0.72
SCHEMBL6618304 0.72 CYP2C19 (0.35) TSHRCYP2C19L3MBTL1ALDH1A1CYP1A2
SCHEMBL15461386 0.72 MAPK1 (0.38) TSHRALDH1A1MAPK1GLS

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-0140400-A1 Process for the direct transformation of an aldehyde into an ethylenic ester AGRIFURANE S.A. (FR) 1985-05-08 EP disclosed