SCHEMBL8415512

SCHEMBL8415512

CCCCCCCC/C=C\CCCCCCCCN(C(C)CO)C(C)CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 4/20 0.46
SPHK2 Q9NRA0 4/20 0.45
SPHK1 Q9NYA1 4/20 0.45
CETP P11597 3/20 0.45
MEN1 O00255 3/20 0.44
MAPT P10636 3/20 0.44
KMT2A Q03164 3/20 0.44
GMNN O75496 2/20 0.44
LMNA P02545 2/20 0.44
GLA P06280 2/20 0.44
POLB P06746 2/20 0.44
THRB P10828 2/20 0.44
MAPK1 P28482 2/20 0.44
CXCR5 P32302 2/20 0.44
CCR6 P51684 2/20 0.44
BLM P54132 2/20 0.44
UBE2N P61088 2/20 0.44
CYP2D6 P10635 2/20 0.44
ALDH1A1 P00352 2/20 0.44
TP53 P04637 1/20 0.44

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
SCHEMBL8415645 0.89 LMNA (0.43) SPHK1CETPMEN1MAPTKMT2A
SCHEMBL8415648 0.89 LMNA (0.43) SPHK1CETPMEN1MAPTKMT2A
SCHEMBL8416657 0.89 LMNA (0.43) SPHK1CETPMEN1MAPTKMT2A
SCHEMBL8415519 0.89 LMNA (0.43) SPHK1CETPMEN1MAPTKMT2A
SCHEMBL2069001 0.86 EPHX2 (0.43) EPHX2CETPCNR1CNR2FAAH
SCHEMBL13064169 0.84 FAAH (0.44) EPHX2MAPTKMT2AGMNNLMNA
SCHEMBL16390398 0.81 EPHX2 (0.48) EPHX2MEN1MAPTKMT2AGMNN
SCHEMBL19513929 0.81 EPHX2 (0.48) EPHX2MEN1MAPTKMT2AGMNN
SCHEMBL381416 0.81 EPHX2 (0.48) EPHX2MEN1MAPTKMT2AGMNN
Hydrochloric Acid SCHEMBL11818985 0.80 EPHX2 (0.47) EPHX2MEN1MAPTKMT2AGMNN

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-0686663-B1 Process for crystal nucleation of crystalline thermoplastic resin and crystalline thermoplastic resin composition MITSUI CHEMICALS INC (JP) 1999-12-22 EP disclosed
US-5856386-A ROSIN ACID METALLIC SALT MITSUI PETROCHEMICALS INDUSTRIES, LTD. (JP) 1999-01-05 US disclosed
EP-0879855-A1 THERMOPLASTIC RESIN COMPOSITION AND FILM MADE FROM THE COMPOSITION Mitsui Chemicals, Inc. (JP) 1998-11-25 EP disclosed
EP-0686663-A1 Process for crystal nucleation of crystalline thermoplastic resin and crystalline thermoplastic resin composition MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-12-13 EP disclosed