SCHEMBL8780306

SCHEMBL8780306

CCCC(O)C(O)CN(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
PLA2G1B P04054 1/20 0.40
PLA2G2A P14555 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.34
TSHR P16473 2/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
ACHE P22303 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
RAD52 P43351 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
SCHEMBL16597197 0.86 PLA2G1B (0.37) LMNAPLA2G1BPLA2G2AL3MBTL1TSHR
SCHEMBL8780346 0.85 LMNA (0.38) LMNAPLA2G1BPLA2G2AALDH1A1
SCHEMBL8780304 0.85 PLA2G1B (0.47) LMNAPLA2G1BPLA2G2AL3MBTL1ALDH1A1
SCHEMBL8780353 0.83 PLA2G1B (0.55) LMNAPLA2G1BPLA2G2AL3MBTL1CYP1A2
SCHEMBL104878 0.80 LMNA (0.55) LMNATSHRCYP1A2CYP2D6
SCHEMBL13476921 0.80 LMNA (0.55) LMNATSHRCYP1A2CYP2D6
SCHEMBL8780334 0.79 LMNA (0.41) LMNATSHR
SCHEMBL1961042 0.79 L3MBTL1 (0.46) LMNAPLA2G1BPLA2G2AL3MBTL1TSHR
SCHEMBL8780310 0.78 TSHR (0.35) PLA2G1BPLA2G2AL3MBTL1TSHRNPY1R
SCHEMBL8780307 0.76 TSHR (0.33) PLA2G1BPLA2G2AL3MBTL1TSHRNPY1R

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 4 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
US-5102773-A For production of printing plates BASF AKTIENGESELLSCHAFT (DE) 1992-04-07 US disclosed
EP-0367086-A1 Light-sensitive recording material BASF Aktiengesellschaft (DE) 1990-05-09 EP disclosed