SCHEMBL8994991

SCHEMBL8994991

CCCC(=O)N=NCc1ccc(OCCCCCOc2ccc(C(=O)N(C(C)C)C(C)C)cc2OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 3/20 0.62
LTB4R2 Q9NPC1 1/20 0.57
PLA2G4B P0C869 1/20 0.46
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
MAPT P10636 1/20 0.43
SMPD1 P17405 1/20 0.39
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
HRH3 Q9Y5N1 2/20 0.39
ADRB2 P07550 1/20 0.39
CYP3A4 P08684 1/20 0.39
HTR1A P08908 1/20 0.39
ADRA2A P08913 1/20 0.39
CYP2D6 P10635 1/20 0.39
CHRM1 P11229 1/20 0.39
TSHR P16473 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CHRM3 P20309 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
SCHEMBL8994894 0.89 LTB4R (0.67) LTB4RLTB4R2PLA2G4BTHRATHRB
SCHEMBL8995034 0.87 LTB4R (0.64) LTB4RLTB4R2PLA2G4BTHRATHRB
SCHEMBL8994854 0.86 LTB4R (0.62) LTB4RLTB4R2PLA2G4BMAPT
SCHEMBL8995062 0.85 LTB4R (0.61) LTB4RLTB4R2PLA2G4BTHRATHRB
SCHEMBL8994902 0.80 LTB4R (0.72) LTB4RLTB4R2PLA2G4BTHRATHRB
SCHEMBL8994895 0.80 LTB4R (0.72) LTB4RLTB4R2PLA2G4BTHRATHRB
SCHEMBL8994928 0.79 LTB4R (0.84) LTB4RLTB4R2PLA2G4BTHRATHRB
SCHEMBL9120860 0.79 LTB4R (0.70) LTB4RLTB4R2PLA2G4BTHRATHRB
SCHEMBL6138115 0.78 LTB4R (0.74) LTB4RLTB4R2PLA2G4BMAPTHTR1A
SCHEMBL9120857 0.78 LTB4R (0.61) LTB4RLTB4R2PLA2G4BTHRATHRB

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 disclosed
US-5451700-A Leukotriene inhibitors CIBA-GEIGY CORPORATION (US) 1995-09-19 US disclosed