SCHEMBL8995092

SCHEMBL8995092

CC(C)N(C(=O)c1ccc(OCCCCCOc2ccc(CN=NC(=O)c3ccncc3)cc2)cc1)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.43
LMNA P02545 4/20 0.42
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
NFKB1 P19838 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.40
GAA P10253 1/20 0.38
STAT3 P40763 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALPI P09923 1/20 0.37
HDAC1 Q13547 1/20 0.37
THRB P10828 1/20 0.36

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
SCHEMBL8995002 0.88 LMNA (0.46) LTB4RLMNASMN1; SMN2NPC1NFKB1
SCHEMBL8995047 0.85 LTB4R (0.47) LTB4RLTB4R2GAAGPR119L3MBTL1
SCHEMBL8594096 0.82 PPARG (0.37) LTB4RLMNASMN1; SMN2NPC1NFKB1
SCHEMBL8995088 0.81 LTB4R (0.49) LTB4RLMNASMN1; SMN2NPC1NFKB1
SCHEMBL8592790 0.80 NPC1 (0.34) LTB4RLMNASMN1; SMN2NPC1NFKB1
SCHEMBL8994854 0.80 LTB4R (0.62) LTB4RLMNALTB4R2L3MBTL1
SCHEMBL8994894 0.75 LTB4R (0.67) LTB4RLTB4R2THRB
SCHEMBL8592505 0.74 NFKB1 (0.39) LTB4RLMNASMN1; SMN2NPC1NFKB1
SCHEMBL8589592 0.73 PPARG (0.38) LTB4RLMNASMN1; SMN2NPC1NFKB1
SCHEMBL8995034 0.72 LTB4R (0.64) LTB4RLTB4R2THRB

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
US-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US claimed
US-5488160-A LEUKOTRIENE B4 RECEPTOR ANTAGONIST AS ANTIINFLAMMATORY AGENTS CIBA-GEIGY CORPORATION (US) 1996-01-30 US disclosed