SCHEMBL8780353

SCHEMBL8780353

CCCCCC(O)C(O)CN(CC)CC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.55
PLA2G2A P14555 1/20 0.55
SPHK1 Q9NYA1 2/20 0.48
CYP2D6 P10635 2/20 0.45
LMNA P02545 2/20 0.45
GMNN O75496 1/20 0.45
POLB P06746 1/20 0.45
THPO P40225 1/20 0.45
MTOR P42345 1/20 0.45
BLM P54132 1/20 0.45
KDM4E B2RXH2 1/20 0.45
TP53 P04637 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
CETP P11597 1/20 0.45
HTT P42858 1/20 0.45
UBE2N P61088 1/20 0.45
GPR84 Q9NQS5 7/20 0.39
FFAR1 O14842 1/20 0.39

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
SCHEMBL8780304 0.93 PLA2G1B (0.47) PLA2G1BPLA2G2ASPHK1CYP2D6LMNA
SCHEMBL8780306 0.83 LMNA (0.41) PLA2G1BPLA2G2ACYP2D6LMNACYP1A2
SCHEMBL1295728 0.83 SPHK1 (0.64) SPHK1CYP2D6LMNAGMNNPOLB
SCHEMBL24180452 0.82 PLA2G1B (0.55) PLA2G1BPLA2G2ASPHK1LMNAGPR84
SCHEMBL8780338 0.82 SPHK1 (0.48) PLA2G1BPLA2G2ASPHK1CYP2D6LMNA
SCHEMBL8279073 0.80 PLA2G1B (0.59) PLA2G1BPLA2G2ASPHK1LMNAGPR84
SCHEMBL25672056 0.80 PLA2G1B (0.59) PLA2G1BPLA2G2ASPHK1LMNAGPR84
SCHEMBL8780318 0.80 PLA2G1B (0.39) PLA2G1BPLA2G2ASPHK1CYP2D6LMNA
SCHEMBL3533620 0.80 PLA2G1B (0.59) PLA2G1BPLA2G2ASPHK1LMNAGPR84
SCHEMBL3532106 0.80 PLA2G1B (0.59) PLA2G1BPLA2G2ASPHK1LMNAGPR84

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