SCHEMBL11823621

SCHEMBL11823621

CCC(Oc1ccc(Cl)cc1)(Oc1ccc(Cl)cc1)C(=O)On1cnc2c1c(=O)n(C)c(=O)n2C

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.48
MAPK1 P28482 2/20 0.48
MAOA P21397 3/20 0.46
MAOB P27338 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 3/20 0.41
ADORA2B P29275 2/20 0.41
HTT P42858 1/20 0.41
UBE2N P61088 1/20 0.41
THRB P10828 1/20 0.40

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
Theofibrate SCHEMBL3960649 0.73 ADORA2B (0.60) LMNAMAPK1SMN1; SMN2POLBRXFP1
Theofibrate SCHEMBL49272 0.73 ADORA2B (0.60) LMNAMAPK1SMN1; SMN2POLBRXFP1
SCHEMBL11460190 0.72 OPRK1 (0.55) LMNAMAPK1SMN1; SMN2RXFP1ADORA2B
SCHEMBL22288922 0.71 ADORA2B (0.59) LMNAMAPK1SMN1; SMN2POLBRXFP1
Acefylline Clofibrol SCHEMBL2110473 0.71 MAPK1 (0.61) LMNAMAPK1SMN1; SMN2POLBRXFP1
SCHEMBL10963461 0.70 LMNA (0.58) LMNAMAPK1SMN1; SMN2POLBRXFP1
SCHEMBL11328647 0.69 MAPK1 (0.56) LMNAMAPK1SMN1; SMN2POLBRXFP1
SCHEMBL27257244 0.68 ADORA2B (0.58) LMNASMN1; SMN2POLBRXFP1ADORA2B
SCHEMBL20561174 0.66 LMNA (1.00) LMNAMAPK1MAOAMAOBSMN1; SMN2
SCHEMBL11823628 0.65 LMNA (0.55) LMNAMAPK1SMN1; SMN2POLBRXFP1

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-3984413-A ANTILIPEMIC, ANTICHOLESTEROLEMIC; PERIPHERAL AND VASOLIDATIVE EFFECT L. MERCKLE KG (DT) 1976-10-05 US disclosed