SCHEMBL11587115

SCHEMBL11587115

CC/C(=C(/C)C(=O)O)N(CC)CC.[NH3+][O-]

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
ALDH2 P05091 1/20 0.32
LMNA P02545 1/20 0.32
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
MMP8 P22894 1/20 0.31
FFAR3 O14843 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
THRB P10828 1/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31

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
SCHEMBL119068 0.94 LMNA (0.36) ALDH1A1ALDH2LMNAMMP1MMP2
SCHEMBL1650860 0.94 LMNA (0.36) ALDH1A1ALDH2LMNAMMP1MMP2
Hydrochloric Acid SCHEMBL4373156 0.91 LMNA (0.34) ALDH1A1ALDH2LMNAMMP1MMP2
Acetic Acid SCHEMBL9812828 0.91 LMNA (0.34) ALDH1A1ALDH2LMNAMMP1MMP2
Methacrylic Acid SCHEMBL15637276 0.86 LMNA (0.31) LMNAMMP1MMP2MMP3MMP8
SCHEMBL6039622 0.86 LMNA (0.31) LMNAMMP1MMP2MMP3MMP8
SCHEMBL15233991 0.82
Benzoquinone SCHEMBL28904518 0.81 MIF (0.33) ALDH1A1LMNA
Acrylamide SCHEMBL9628310 0.80 ALDH1A1 (0.38) ALDH1A1
SCHEMBL6143379 0.78

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-4127711-A Fluorine-containing terpolymers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1978-11-28 US disclosed