SCHEMBL8995079

SCHEMBL8995079

CCOC(=N)c1ccc(OCCCCCOc2ccc(C(=O)N(C(C)C)C(C)C)c(O)c2)cc1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.48
MAOB P27338 12/20 0.46
LTB4R2 Q9NPC1 1/20 0.44
MEN1 O00255 1/20 0.43
LMNA P02545 1/20 0.43
TP53 P04637 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAOA P21397 1/20 0.41
PPARD Q03181 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PLAU P00749 1/20 0.41
PLAT P00750 1/20 0.41
HPGD P15428 1/20 0.40
LSS P48449 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40

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
SCHEMBL8994878 0.92 LTB4R (0.50) LTB4RLTB4R2MEN1TP53KMT2A
SCHEMBL8995036 0.89 LTB4R (0.48) LTB4RLTB4R2MEN1TP53KMT2A
SCHEMBL8995071 0.88 LTB4R (0.56) LTB4RLTB4R2LSSTHRATHRB
Hydrochloric Acid SCHEMBL8994980 0.87 LTB4R (0.56) LTB4RLTB4R2LSSTHRATHRB
Hydrochloric Acid SCHEMBL8590502 0.87 LTB4R (0.48) LTB4RLTB4R2MEN1KMT2ATHRA
SCHEMBL8994945 0.87 LTB4R (0.55) LTB4RLTB4R2MEN1TP53KMT2A
SCHEMBL8591184 0.86 LTB4R (0.48) LTB4RLTB4R2TP53PPARD
SCHEMBL7711184 0.86 LTB4R (0.64) LTB4RLTB4R2LMNAMAOAF2
Hydrochloric Acid SCHEMBL9139776 0.86 HPGD (0.45) LTB4RMAOBMEN1LMNATP53
Hydrochloric Acid SCHEMBL8589791 0.85 LTB4R (0.47) LTB4RLTB4R2MEN1LMNAKMT2A

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 3 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 disclosed
US-5451700-A Leukotriene inhibitors CIBA-GEIGY CORPORATION (US) 1995-09-19 US disclosed
EP-0518819-B1 Amidino compounds, their manufacture and use as medicament CIBA GEIGY AG (CH) 1995-08-02 EP disclosed