SCHEMBL13815444

SCHEMBL13815444

CCC(O)C(C)(C)Oc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ GRIN1 Q05586 4/20 0.39
▸ GRIN2A Q12879 4/20 0.39
▸ GRIN2D O15399 3/20 0.39
▸ GRIN2C Q14957 3/20 0.39
▸ GRIN2B Q13224 2/20 0.39
▸ TSHR P16473 1/20 0.38
▸ PPARG P37231 3/20 0.37
▸ PPARA Q07869 2/20 0.37
▸ TRPA1 O75762 2/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA7 P36544 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ RIPK1 Q13546 1/20 0.35
▸ ATM Q13315 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ LTA4H P09960 1/20 0.34

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
SCHEMBL11611192 0.83 LMNA (0.40) LMNACYP2D6PPARGPPARATRPA1
SCHEMBL19601184 0.81 LMNA (0.33) LMNACYP2D6GRIN1GRIN2AGRIN2D
SCHEMBL11663267 0.78 LMNA (0.45) LMNACYP2D6TSHRPPARGTRPA1
SCHEMBL6378216 0.74 PPARG (0.39) LMNATSHRPPARGPPARA
SCHEMBL27589480 0.73 LMNA (0.38) LMNACYP2D6PPARGPPARACHRNB2
SCHEMBL17877182 0.73 MAPK1 (0.41) LMNACYP2D6TSHRPPARGRIPK1
SCHEMBL11516559 0.72 LMNA (0.36) LMNACYP2D6TSHRPPARGPPARA
SCHEMBL17746055 0.70 PPARG (0.49) CYP2D6PPARGPPARAATML3MBTL1
SCHEMBL11616008 0.70 LMNA (0.35) LMNACYP2D6PPARGPPARARIPK1
SCHEMBL5286690 0.69 TAAR1 (0.40) TSHRPPARGPPARACHRNB2CHRNB4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2065708-A1 Method for measuring high-density lipoprotein cholesterol Fujifilm Corporation (JP) 2009-06-03 — — EP disclosed
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