SCHEMBL4094428

SCHEMBL4094428

CCCCCCCCCOC(=O)C(C)=CCCOc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FAAH O00519 6/20 0.49
TSHR P16473 2/20 0.49
TP53 P04637 1/20 0.49
LTA4H P09960 1/20 0.49
PLA2G4B P0C869 2/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
HTT P42858 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
MEN1 O00255 1/20 0.46
APAF1 O14727 1/20 0.46
USP2 O75604 1/20 0.46
RAD52 P43351 1/20 0.46
KMT2A Q03164 1/20 0.46
RARB P10826 1/20 0.46

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
SCHEMBL27491439 0.83 TSHR (0.48) TSHRTP53ALDH1A1LMNAPOLB
SCHEMBL27186824 0.83 SMN1; SMN2 (0.45) TSHRALDH1A1LMNATDP1MEN1
SCHEMBL28532207 0.82 TDP1 (0.55) TSHRALDH1A1LMNATDP1MEN1
Acetic Acid SCHEMBL29380777 0.80 LTA4H (0.68) FAAHTSHRTP53LTA4HPLA2G4B
SCHEMBL28037775 0.80 TSHR (0.50) TSHRTP53ALDH1A1LMNAPOLB
SCHEMBL27995953 0.80 RECQL (0.49) TSHRALDH1A1LMNAPOLBAPEX1
SCHEMBL3184463 0.79 MTNR1A (0.47) FAAHALDH1A1
SCHEMBL9724670 0.79 TSHR (0.58) FAAHTSHRALDH1A1LMNAHTT
SCHEMBL8752883 0.79 TSHR (0.58) FAAHTSHRALDH1A1LMNAHTT
SCHEMBL11136541 0.79 TSHR (0.58) FAAHTSHRALDH1A1LMNAHTT

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-20090215963-A1 Thermoplastic elastomeric material and process for its manufacturing PIRELLI & C. S.P.A., (IT) 2009-08-27 US claimed