SCHEMBL8601318

SCHEMBL8601318

CCCCOC(OCCCC)C(O)Nc1nc(NC(O)C(OCCCC)OCCCC)nc(NC(O)C(OCCCC)OCCCC)n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
KCNH2 Q12809 1/20 0.32
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL8603167 0.92 KCNH2 (0.38) CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL8601291 0.89 KCNH2 (0.38) CYP3A4CYP2C9CYP2C19KCNH2
SCHEMBL11345678 0.73 CYP1A2 (0.38) CYP3A4CYP2C9CYP2C19MEN1CYP1A2
SCHEMBL195696 0.71 HTR7 (0.34) CYP3A4CYP2C9CYP2C19CYP1A2KCNH2
SCHEMBL8601743 0.70 KCNH3 (0.34) MEN1CYP1A2KMT2AALDH1A1
SCHEMBL9393419 0.68 ADRB2 (0.45) CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL10956724 0.68 CYP3A4 (0.38) CYP3A4CYP2C9CYP2C19ALDH1A1
SCHEMBL5156866 0.67 CDK1 (0.35) KCNH2
SCHEMBL7173862 0.65 TSHR (0.43) MEN1KMT2AALDH1A1
SCHEMBL14975586 0.64 TSHR (0.42) CYP3A4CYP2C9CYP2C19ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0698627-B1 Aminoplast resins and their use as a crosslinker of cellulose HOECHST FRANCE (FR) 1998-03-04 EP claimed
US-5665851-A Aminoplastic resins and their use as a crosslinking agent for cellulose SEQUA CHEMICALS, INC. (US) 1997-09-09 US claimed
US-5665851-A Aminoplastic resins and their use as a crosslinking agent for cellulose SEQUA CHEMICALS, INC. (US) 1997-09-09 US disclosed