SCHEMBL46200

SCHEMBL46200

CCC/C=C(\CCC)C1=C(c2cccc(OC)c2)C2(Nc3ccccc3)CCCC2C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ NR5A2 O00482 19/20 1.00
▸ NR5A1 Q13285 17/20 1.00

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
SCHEMBL16020510 0.90 NR5A2 (1.00) NR5A2NR5A1
SCHEMBL7452038 0.58 MTNR1B (0.76) —
SCHEMBL10357853 0.55 NQO2 (0.47) —
SCHEMBL8278751 0.55 MTNR1B (0.89) —
SCHEMBL8642683 0.55 MTNR1A (0.71) —
SCHEMBL9068456 0.54 CYP1A2 (0.47) NR5A2NR5A1
SCHEMBL18801487 0.54 CYP1A2 (0.47) NR5A2NR5A1
SCHEMBL15741683 0.54 NPC1 (0.56) —
Methyl Alcohol SCHEMBL28369741 0.54 HDAC4 (0.59) —
SCHEMBL29740761 0.54 CYP1A1 (0.64) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130210143-A1 NOVEL METHODS FOR PREVENTING OR TREATING DIABETES FUNDACION PUBLICA ANDALUZA PROGRESO Y SALUD (ES) 2013-08-15 — — US disclosed
US-20130210143-A1 NOVEL METHODS FOR PREVENTING OR TREATING DIABETES FUNDACION PUBLICA ANDALUZA PROGRESO Y SALUD (ES) 2013-08-15 — — US disclosed
WO-2011144725-A2 NOVEL METHODS FOR PREVENTING OR TREATING DIABETES FUNDACIÓN PÚBLICA ANDALUZA PROGRESO Y SALUD (ES) 2011-11-24 — — WO disclosed
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