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)
SCHEMBL18801487 0.54 CYP1A2 (0.47) NR5A2NR5A1
SCHEMBL9068456 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