SCHEMBL9301436

SCHEMBL9301436

CCC1(c2ccccc2)C(=O)NC(=O)N(CCCCC(=O)NCCCCCCNC(=O)CCC(=O)ON2C(=O)CCC2=O)C1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 2/20 0.45
CYP2C19 P33261 2/20 0.42
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 1/20 0.41
KMT2A Q03164 1/20 0.39
HDAC4 P56524 2/20 0.36
HDAC1 Q13547 2/20 0.36
HDAC2 Q92769 2/20 0.36
HDAC6 Q9UBN7 2/20 0.36
BCHE P06276 1/20 0.36
CHRM2 P08172 1/20 0.36
ACHE P22303 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.35
NAMPT P43490 2/20 0.35

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
SCHEMBL9301792 0.97 SMN1; SMN2 (0.43) SMN1; SMN2ALDH1A1CYP2C19HPGDHTT
SCHEMBL9302983 0.92 SMN1; SMN2 (0.42) SMN1; SMN2ALDH1A1CYP2C19HPGDHTT
SCHEMBL7813558 0.85 CYP2C19 (0.44) SMN1; SMN2ALDH1A1CYP2C19LMNAKMT2A
SCHEMBL7773269 0.84 CYP2C19 (0.50) SMN1; SMN2ALDH1A1CYP2C19LMNAKMT2A
SCHEMBL7776781 0.84 ALDH1A1 (0.48) SMN1; SMN2ALDH1A1
SCHEMBL7803894 0.82 CYP2C19 (0.40) SMN1; SMN2ALDH1A1CYP2C19HPGDHTT
SCHEMBL7769133 0.82 LMNA (0.51) SMN1; SMN2ALDH1A1CYP2C19LMNAKMT2A
SCHEMBL7776791 0.82 CYP2C19 (0.52) SMN1; SMN2ALDH1A1CYP2C19HTTLMNA
SCHEMBL7769114 0.80 CYP2C19 (0.46) SMN1; SMN2ALDH1A1CYP2C19HPGDHTT
SCHEMBL9301787 0.80 CYP2C19 (0.41) SMN1; SMN2ALDH1A1CYP2C19HPGDHTT

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-5284948-A Drug hapten analogues for immunoassays EASTMAN KODAK COMPANY (US) 1994-02-08 US claimed