SCHEMBL8780346

SCHEMBL8780346

CCCC(O)C(O)CN(CCC)CCC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.38
PLA2G1B P04054 1/20 0.33
PLA2G2A P14555 1/20 0.33
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL8780318 0.86 PLA2G1B (0.39) LMNAPLA2G1BPLA2G2AALDH1A1CA12
SCHEMBL8780306 0.85 LMNA (0.41) LMNAPLA2G1BPLA2G2AALDH1A1
SCHEMBL8780308 0.83 ALDH1A1 (0.33) LMNAPLA2G1BPLA2G2AALDH1A1RAB9A
SCHEMBL3536789 0.78 ALDH1A1 (0.39) LMNAPLA2G1BPLA2G2AALDH1A1RAB9A
SCHEMBL8780328 0.78 ALDH1A1 (0.33) ALDH1A1RAB9ACA12CA2CA9
SCHEMBL13476921 0.76 LMNA (0.55) LMNA
SCHEMBL104878 0.76 LMNA (0.55) LMNA
SCHEMBL8780334 0.75 LMNA (0.41) LMNA
SCHEMBL5430728 0.74 ALDH1A1 (0.42) ALDH1A1RAB9ACA12CA2CA9
SCHEMBL25122524 0.72 PLA2G1B (0.32) PLA2G1BPLA2G2A

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
EP-0601668-B1 Epoxy resin composition SHELL INT RESEARCH (NL) 1997-03-19 EP disclosed
EP-0601668-A2 Epoxy resin composition SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1994-06-15 EP disclosed