SCHEMBL10838488

SCHEMBL10838488

CCCc1c(OCCCCCOc2ccc3c(c2CCC)OC(C(=O)OCC)CC3=O)ccc(C(C)=O)c1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.56
LTB4R2 Q9NPC1 4/20 0.56
CYSLTR1 Q9Y271 11/20 0.55
CYSLTR2 Q9NS75 10/20 0.55
TBXAS1 P24557 1/20 0.51
GRM2 Q14416 1/20 0.48
LMNA P02545 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
NFKB1 P19838 1/20 0.46
PPARG P37231 1/20 0.46
BLM P54132 1/20 0.46
PPARD Q03181 1/20 0.46
PPARA Q07869 1/20 0.46
MEN1 O00255 1/20 0.46
GLA P06280 1/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX5 P09917 1/20 0.46
ALOX15 P16050 1/20 0.46

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
SCHEMBL10342887 0.90 LTB4R (0.66) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL10836882 0.84 LTB4R (0.57) LTB4RLTB4R2TDP1
SCHEMBL10342894 0.83 LTB4R (0.56) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL10638732 0.82 LTB4R (0.51) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL10811298 0.82 CYSLTR1 (0.50) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL10805657 0.81 LTB4R (0.58) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL10344388 0.81 CYSLTR1 (0.61) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL10737074 0.81 CYSLTR1 (0.60) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1
SCHEMBL10731283 0.80 CYSLTR2 (0.59) LTB4RLTB4R2CYSLTR1CYSLTR2GRM2
SCHEMBL10344115 0.79 PPARG (0.56) LTB4RLTB4R2CYSLTR1CYSLTR2TBXAS1

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
EP-0150447-A2 Substituted dihydrobenzopyran-2-carboxylates G.D. Searle & Co. (US) 1985-08-07 EP claimed
US-4565882-A Substituted dihydrobenzopyran-2-carboxylates G. D. SEARLE & CO. (US) 1986-01-21 US disclosed
EP-0150447-A2 Substituted dihydrobenzopyran-2-carboxylates G.D. Searle & Co. (US) 1985-08-07 EP disclosed