SCHEMBL5238958

SCHEMBL5238958

CCCCOc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 4/20 0.66
▸ CHRNA7 P36544 2/20 0.65
▸ CHRNB2 P17787 1/20 0.65
▸ CHRNB4 P30926 1/20 0.65
▸ CHRNA3 P32297 1/20 0.65
▸ CHRNA4 P43681 1/20 0.65
▸ LMNA P02545 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ PTGS1 P23219 1/20 0.62
▸ SLC6A2 P23975 1/20 0.62
▸ CYP2C19 P33261 1/20 0.62
▸ PTGS2 P35354 1/20 0.62
▸ SLC6A3 Q01959 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ HDAC6 Q9UBN7 1/20 0.62
▸ MAOB P27338 4/20 0.60
▸ GAA P10253 1/20 0.60
▸ MAPT P10636 1/20 0.60
▸ MAOA P21397 1/20 0.60
▸ RAB9A P51151 1/20 0.60

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
SCHEMBL30539400 0.96 LTA4H (0.68) LTA4HCHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL15923575 0.94 LTA4H (0.66) LTA4HCHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL27974031 0.94 LTA4H (0.66) LTA4HCHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL7050035 0.94 LTA4H (0.69) LTA4HCHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL4057023 0.92 CHRNA7 (0.65) LTA4HCHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL10604208 0.89 ALOX5 (0.71) LTA4HCHRNA7CHRNB2CHRNB4CHRNA3
Tetradecane SCHEMBL28375680 0.88 SLC6A2 (0.57) LTA4HLMNACYP1A2PTGS1SLC6A2
SCHEMBL7036584 0.88 MGLL (0.67) LTA4HCHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL9808056 0.87 LMNA (0.72) LTA4HCHRNA7CHRNB2CHRNB4CHRNA3
SCHEMBL863065 0.87 LTA4H (0.57) LTA4HCHRNA7CHRNB2CHRNB4CHRNA3

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
CN-114805038-B Synthesis method of poly (p-phenylene ethylene) photoelectric material intermediate 荆州市天翼精细化工开发有限公司 2023-11-03 — — CN disclosed
CN-114805038-A Synthetic method of poly (p-phenylene ethylene) photoelectric material intermediate 荆州市天翼精细化工开发有限公司 2022-07-29 — — CN disclosed
EP-1778652-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS EntreMed, Inc. (US) 2007-05-02 — — EP disclosed
WO-2006023844-A2 COMPOSITIONS AND METHODS COMPRISING PROTEINASE ACTIVATED RECEPTOR ANTAGONISTS ENTREMED, INC. (US) 2006-03-02 — — WO disclosed
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