SCHEMBL11075284

SCHEMBL11075284

CCCOC(=O)C1(CCOCCCCCCC2CCCC2)CO1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
EPHX1 P07099 1/20 0.39
NAAA Q02083 8/20 0.38
CYP1A2 P05177 1/20 0.37
CES2 O00748 1/20 0.37

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
SCHEMBL11068114 0.90 ABCB11 (0.41) ABCB11LMNAMAPTMAPK1EPHX1
SCHEMBL11070063 0.90 ABCB11 (0.46) ABCB11LMNAMAPTMAPK1EPHX1
SCHEMBL11071844 0.90 ABCB11 (0.43) ABCB11LMNAMAPTMAPK1EPHX1
SCHEMBL11080618 0.90 ABCB11 (0.43) ABCB11LMNAMAPTMAPK1EPHX1
SCHEMBL11078765 0.90 ABCB11 (0.43) ABCB11LMNAMAPTMAPK1EPHX1
SCHEMBL11073989 0.89 ABCB11 (0.47) ABCB11LMNAMAPTMAPK1EPHX1
SCHEMBL11070504 0.88 SMN1; SMN2 (0.41) ABCB11EPHX1NAAACYP1A2
SCHEMBL11022703 0.85 ABCB11 (0.43) ABCB11LMNAMAPTMAPK1EPHX1
SCHEMBL11081534 0.84 CYP1A2 (0.43) ABCB11LMNAMAPTMAPK1EPHX1
SCHEMBL11073831 0.84 CYP1A2 (0.43) ABCB11LMNAMAPTMAPK1EPHX1

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
US-4430339-A PROPHYLAXIS, METABOLISM, GLUCOSE, FATS, HYPOGLYCEMIC AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1984-02-07 US disclosed