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Sugi Predict / Compounds / SCHEMBL14967786

SCHEMBL14967786

SCHEMBL14967786

O=Cc1ccc(-c2ccc(OC34CCC(C(=O)O)(CC3)CC4)nc2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 5/20 0.45
▸ DGAT1 O75907 12/20 0.37
▸ KCNH2 Q12809 4/20 0.33
▸ SOAT1 P35610 2/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ CYP4F2 P78329 1/20 0.32
▸ CYP4A11 Q02928 1/20 0.32

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
SCHEMBL14967566 0.85 ERN1 (0.47) ERN1DGAT1
SCHEMBL14968031 0.84 ERN1 (0.46) ERN1DGAT1KCNH2ADORA2A
SCHEMBL14971694 0.79 DGAT1 (0.47) DGAT1KCNH2SOAT1ADORA2A
SCHEMBL14971629 0.78 DGAT1 (0.48) DGAT1KCNH2SOAT1ADORA2A
SCHEMBL14967862 0.77 ERN1 (0.39) ERN1
SCHEMBL14971611 0.76 DGAT1 (0.44) DGAT1KCNH2SOAT1ADORA2A
SCHEMBL14971585 0.76 DGAT1 (0.49) DGAT1KCNH2SOAT1ADORA2A
SCHEMBL14971637 0.75 DGAT1 (0.45) DGAT1KCNH2SOAT1
SCHEMBL14971628 0.74 DGAT1 (0.42) DGAT1KCNH2SOAT1ADORA2A
SCHEMBL14971604 0.74 DHODH (0.49) DGAT1KCNH2ADORA2A

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
WO-2013074387-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2013-05-23 — — WO disclosed
WO-2013074387-A1 IMIDAZOLE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2013-05-23 — — WO disclosed