SCHEMBL6294067

SCHEMBL6294067

CCN(CC)C(=O)N(CC)CC.CN(C)C(=O)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.45
ALDH1A1 P00352 5/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP8 P22894 1/20 0.40
CA12 O43570 3/20 0.34
CA1 P00915 3/20 0.34
CA9 Q16790 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
EHMT2 Q96KQ7 3/20 0.33
EHMT1 Q9H9B1 3/20 0.33
TSHR P16473 3/20 0.33
HTR1A P08908 2/20 0.33
ABCB11 O95342 2/20 0.33
HTT P42858 2/20 0.33
GSDMD P57764 2/20 0.33
CA2 P00918 2/20 0.33
CA4 P22748 2/20 0.33

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
SCHEMBL8308117 0.91 LMNA (0.43) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL210439 0.87 LMNA (0.52) LMNAALDH1A1MMP1MMP2MMP3
Fluoride SCHEMBL29204710 0.84 LMNA (0.50) LMNAALDH1A1MMP1MMP2MMP3
Alcohol SCHEMBL28176625 0.78 ALDH1A1 (0.43) ALDH1A1TSHRCHRM1CHRM2CHRM4
SCHEMBL24760 0.77
SCHEMBL6523333 0.77 ALDH1A1 (0.50) LMNAALDH1A1CA12CA1CA9
SCHEMBL8902429 0.77 LMNA (0.42) LMNAALDH1A1MMP1MMP2MMP3
SCHEMBL16090076 0.76 CA12 (0.46) LMNAALDH1A1MMP1MMP2MMP3
Alcohol SCHEMBL28301453 0.75 ALDH1A1 (0.40) ALDH1A1TSHRMAPTNFKB1THPO
SCHEMBL11531169 0.74 LMNA (0.40) LMNAALDH1A1MMP1MMP2MMP3

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-6881819-B2 Liquid initiator for carrying out anionic lactam polymerization in an accelerated manner, method for the production thereof and its use EMS-CHEMIE AG (CH) 2005-04-19 US claimed
WO-2023194626-A1 HERBICIDE COMPOSITION FOR THE CONTROL OF UNWANTED VEGETATION BELCHIM CROP PROTECTION NV (BE) 2023-10-12 WO disclosed