SCHEMBL6286374

SCHEMBL6286374

CCCCNCCOCCOCCN1CC(C)NC1=O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
KDM4E B2RXH2 4/20 0.37
ALDH1A1 P00352 2/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2C19 P33261 3/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
GAA P10253 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
CYP2C9 P11712 1/20 0.32
PER2 O15055 2/20 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
SCHEMBL6289810 0.99 TSHR (0.36) TSHRKDM4EALDH1A1SMN1; SMN2CYP2C19
SCHEMBL6289575 0.88 TSHR (0.32) TSHRKDM4EALDH1A1SMN1; SMN2CYP2C19
SCHEMBL6283774 0.88 PER2 (0.32) PER2
SCHEMBL6289680 0.87 PER2 (0.32) PER2
SCHEMBL6284765 0.85 PER2 (0.34) TSHRKDM4EALDH1A1CYP2C19CYP1A2
SCHEMBL6289661 0.85 PER2 (0.34) TSHRKDM4EALDH1A1CYP2C19CYP1A2
SCHEMBL6289585 0.84 GBA1 (0.36) TSHRKDM4EALDH1A1CYP2C19CYP1A2
SCHEMBL6285149 0.82 PER2 (0.33) PER2
SCHEMBL6289683 0.82 GBA1 (0.38) TSHRALDH1A1CYP2C19MEN1KMT2A
SCHEMBL6286453 0.81 PER2 (0.33) PER2

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
US-6916854-B2 Heat and/or light curable films or coatings comprising polyurethanes or polyureaurethane copolymers having storage stability, used as automobile paints BASF AKTIENGESELLSCHAFT (DE) 2005-07-12 US disclosed
US-20040097642-A1 Unsaturated compounds containing carbamate terminal groups or urea terminal groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-20 US disclosed