SCHEMBL8949577

SCHEMBL8949577

CCCc1c(O)cccc1OCc1ccccc1C(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 4/20 0.52
LTB4R2 Q9NPC1 4/20 0.52
LMNA P02545 2/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 2/20 0.46
FOLH1 Q04609 1/20 0.42
NPC1 O15118 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6808531 0.84 TSHR (0.54) LTB4RLTB4R2LMNATSHRALDH1A1
SCHEMBL10743698 0.82 PPARG (0.53) LTB4RLTB4R2LMNA
SCHEMBL6894976 0.82 LMNA (0.51) LTB4RLTB4R2LMNATSHRALDH1A1
SCHEMBL15110844 0.80 LMNA (0.58) LMNATSHRALDH1A1NPC1RAB9A
SCHEMBL6895558 0.77 LMNA (0.51) LTB4RLTB4R2LMNATSHRALDH1A1
SCHEMBL1840149 0.76 LTB4R (0.47) LTB4RLTB4R2
SCHEMBL9442052 0.76 L3MBTL1 (0.52) LMNAALDH1A1HTTRAB9AKMT2A
SCHEMBL6965435 0.76 LMNA (0.55) LMNAALDH1A1HTTKMT2ASMN1; SMN2
SCHEMBL1629682 0.75 ALDH1A1 (0.70) LMNATSHRALDH1A1HTTKMT2A
SCHEMBL29875722 0.75 ALDH1A1 (0.70) LMNATSHRALDH1A1HTTKMT2A

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