SCHEMBL5494690

SCHEMBL5494690

CCC1(c2ccccc2)C(=O)NC(=O)N(N2C(=O)NC(=O)[C@@](CC)(c3ccccc3)C2=O)C1=O

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.73
CYP2C19 P33261 4/20 0.66
KMT2A Q03164 2/20 0.62
TSHR P16473 2/20 0.56
MEN1 O00255 1/20 0.56
CYP1A2 P05177 1/20 0.56
POLB P06746 1/20 0.56
APEX1 P27695 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
MMP2 P08253 5/20 0.53
MMP9 P14780 5/20 0.53
MMP3 P08254 2/20 0.53
ELANE P08246 1/20 0.40
MMP13 P45452 1/20 0.38

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
SCHEMBL29061754 0.88 LMNA (0.62) LMNACYP2C19KMT2ATSHRMEN1
(S)-Methylphenobarbital SCHEMBL35625 0.85 LMNA (1.00) LMNACYP2C19KMT2ATSHRMEN1
Mephobarbital SCHEMBL35624 0.85 LMNA (1.00) LMNACYP2C19KMT2ATSHRMEN1
(R)-Methylphenobarbital SCHEMBL11789851 0.85 LMNA (1.00) LMNACYP2C19KMT2ATSHRMEN1
SCHEMBL28077903 0.83 LMNA (0.69) LMNACYP2C19KMT2ATSHRMEN1
Mephobarbital SCHEMBL29694125 0.83 LMNA (0.97) LMNACYP2C19KMT2ATSHRMEN1
SCHEMBL27853847 0.83 LMNA (0.69) LMNACYP2C19KMT2ATSHRMEN1
SCHEMBL11530438 0.83 LMNA (0.69) LMNACYP2C19KMT2ATSHRMEN1
Mephobarbital SCHEMBL28475568 0.83 LMNA (0.97) LMNACYP2C19KMT2ATSHRMEN1
SCHEMBL17791220 0.81 LMNA (0.66) LMNACYP2C19KMT2ATSHRMEN1

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-20070104696-A1 Use of cell lines to produce active therapeutic proteins MULTICELL TECHNOLOGIES, INC. (US) 2007-05-10 US disclosed