SCHEMBL11243249

SCHEMBL11243249

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

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
TBXAS1 P24557 2/20 0.38
ALDH1A1 P00352 1/20 0.35
ALDH2 P05091 1/20 0.35
TET2 Q6N021 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA9 Q16790 1/20 0.31
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP8 P22894 1/20 0.30
EGFR P00533 1/20 0.30

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
SCHEMBL11243264 0.92 LMNA (0.52) LMNAALDH1A1ALDH2CA12CA1
SCHEMBL1628754 0.83 LMNA (0.43) LMNAALDH1A1ALDH2CA12CA1
SCHEMBL648954 0.80 CES2 (0.46) ALDH1A1
SCHEMBL194525 0.80 CES2 (0.46) ALDH1A1
SCHEMBL1042979 0.80 LMNA (0.40) LMNAALDH1A1ALDH2CA12CA1
SCHEMBL1629859 0.79 LMNA (0.41) LMNAALDH1A1ALDH2CA12CA1
SCHEMBL2505688 0.78 BLM (0.43) LMNAALDH1A1ALDH2
SCHEMBL7989948 0.78 SLC22A6 (0.44) LMNATBXAS1TET2
SCHEMBL5925011 0.76 TBXAS1 (0.37) LMNATBXAS1ALDH1A1TET2
Hydrochloric Acid SCHEMBL9902114 0.76 CES1 (0.48) ALDH1A1CA1

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