SCHEMBL8987100

SCHEMBL8987100

CCOC(=O)CCCCCOc1ccc(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)n1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH2 P05091 2/20 0.46
MAOA P21397 1/20 0.46
MAOB P27338 1/20 0.46
PTPN1 P18031 1/20 0.46
LTB4R Q15722 2/20 0.44
FAAH O00519 4/20 0.42
CYSLTR2 Q9NS75 1/20 0.41
CYSLTR1 Q9Y271 1/20 0.41
TBXAS1 P24557 3/20 0.41
PDK2 Q15119 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
PTGS2 P35354 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
SCHEMBL8987216 1.00 ALDH2 (0.46) ALDH2MAOAMAOBPTPN1LTB4R
SCHEMBL5360423 0.88 FAAH (0.52) PTPN1LTB4RFAAHCYSLTR2CYSLTR1
SCHEMBL5366170 0.88 FAAH (0.52) PTPN1LTB4RFAAHCYSLTR2CYSLTR1
SCHEMBL8987130 0.86 LTB4R (0.58) PTPN1LTB4R
SCHEMBL9291603 0.86 LTB4R (0.58) PTPN1LTB4R
SCHEMBL8987122 0.84 ALDH2 (0.46) ALDH2MAOAMAOBPTPN1LTB4R
SCHEMBL9522369 0.80 LTB4R (0.44) PTPN1LTB4RFAAH
SCHEMBL19474670 0.78 LTA4H (0.53) CYSLTR2CYSLTR1PDK2
SCHEMBL8987309 0.75 LTB4R (0.79) LTB4R
SCHEMBL7043277 0.74 HRH2 (0.57) FAAHCYSLTR2CYSLTR1

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
US-5492915-A ANTIINFLAMMATORY AGENTS RHONE-POULENC RORER S.A. (FR) 1996-02-20 US disclosed
US-5366982-A Antiinflammatory agents or antihistamines RHONE-POULENC RORER S.A. (FR) 1994-11-22 US disclosed
EP-0540604-A1 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B 4? ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS Aventis Pharma S.A. (FR) 1993-05-12 EP disclosed
WO-1992001675-A2 SUBSTITUTED BICYCLIC BIS-ARYL COMPOUNDS EXHIBITING SELECTIVE LEUKOTRIENE B4 ANTAGONIST ACTIVITY, THEIR PREPARATION AND USE IN PHARMACEUTICAL COMPOSITIONS RHONE-POULENC RORER S.A. (FR) 1992-02-06 WO disclosed