SCHEMBL8949587

SCHEMBL8949587

CCCc1c(OCCCCl)cccc1OCC(=O)OCC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.49
LTB4R Q15722 3/20 0.47
PPARA Q07869 3/20 0.46
PPARG P37231 2/20 0.46
ABCB1 P08183 1/20 0.46
ALDH1A1 P00352 3/20 0.45
LMNA P02545 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HPGD P15428 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
NPC1 O15118 1/20 0.45
S1PR4 O95977 1/20 0.45
MAPT P10636 1/20 0.45
ITGA4 P13612 1/20 0.45
S1PR1 P21453 1/20 0.45
MAPK1 P28482 1/20 0.45
RAB9A P51151 1/20 0.45
TLR9 Q9NR96 1/20 0.45
PPARD Q03181 2/20 0.43
PTPN1 P18031 1/20 0.43

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
SCHEMBL8957175 0.85 LTB4R (0.61) LTB4RPPARAPPARGLMNASMN1; SMN2
SCHEMBL8949549 0.82 ABCB1 (0.49) USP2LTB4RPPARAPPARGABCB1
SCHEMBL8949613 0.81 LTB4R (0.51) LTB4RALDH1A1LMNASMN1; SMN2HPGD
SCHEMBL8580824 0.80 LTB4R (0.52) LTB4RSMN1; SMN2PTPN1TDP1L3MBTL1
SCHEMBL8949624 0.78 LTB4R (0.80) LTB4RLTB4R2
SCHEMBL2010417 0.75 USP2 (0.67) USP2ABCB1ALDH1A1LMNASMN1; SMN2
SCHEMBL2871402 0.75 PPARD (0.58) USP2PPARAPPARGABCB1ALDH1A1
SCHEMBL14252838 0.74 USP2 (0.57) USP2ABCB1ALDH1A1LMNASMN1; SMN2
SCHEMBL30717645 0.73 USP2 (0.61) USP2ABCB1ALDH1A1LMNASMN1; SMN2
SCHEMBL10687745 0.73 CYSLTR2 (0.62) LTB4RPPARAPPARGALDH1A1LMNA

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-5552441-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
US-5324743-A Leukotriene B4 antagonists ELI LILLY AND COMPANY (US) 1994-06-28 US disclosed