SCHEMBL11243264

SCHEMBL11243264

C=C(CCCC(=C)C(=O)N(CC)CC)C(=O)N(CC)CC

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.52
ALDH1A1 P00352 4/20 0.35
ALDH2 P05091 2/20 0.35
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP8 P22894 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA9 Q16790 1/20 0.34
KMT2A Q03164 2/20 0.32
PHGDH O43175 1/20 0.32
PLIN1 O60240 1/20 0.32
GMNN O75496 1/20 0.32
TRPA1 O75762 1/20 0.32
ABCB11 O95342 1/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
HSP90AA1 P07900 1/20 0.32
CYP3A4 P08684 1/20 0.32

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
SCHEMBL11243249 0.92 LMNA (0.45) LMNAALDH1A1ALDH2MMP1MMP2
SCHEMBL1628754 0.91 LMNA (0.43) LMNAALDH1A1ALDH2CA12CA1
SCHEMBL1042979 0.87 LMNA (0.40) LMNAALDH1A1ALDH2MMP1MMP2
SCHEMBL648954 0.87 CES2 (0.46) ALDH1A1KMT2AALOX15TSHRPDE4A
SCHEMBL194525 0.87 CES2 (0.46) ALDH1A1KMT2AALOX15TSHRPDE4A
SCHEMBL1629859 0.86 LMNA (0.41) LMNAALDH1A1ALDH2MMP1MMP2
SCHEMBL2505688 0.86 BLM (0.43) LMNAALDH1A1ALDH2KMT2ACYP1A2
SCHEMBL2503822 0.82 LMNA (0.38) LMNAALDH1A1ALDH2MMP1MMP2
SCHEMBL11523442 0.80 LMNA (0.39) LMNAALDH1A1ALDH2MMP1MMP2
SCHEMBL19359715 0.78 LMNA (0.37) LMNAALDH1A1ALDH2MMP1MMP2

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-4322491-A BINDER, PHOTOINITIATOR, AND AN UNSATURATED COMPOUND HOECHST AKTIENGESELLSCHAFT (DE) 1982-03-30 US disclosed