SCHEMBL3245398

SCHEMBL3245398

O=CCc1ccc(-c2cccs2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.63
CYP17A1 P05093 1/20 0.56
CYP11B1 P15538 1/20 0.56
CYP11B2 P19099 1/20 0.56
ERN1 O75460 2/20 0.47
HDAC2 Q92769 1/20 0.45
PRMT6 Q96LA8 1/20 0.44
HDAC1 Q13547 1/20 0.43
GSK3B P49841 1/20 0.43
KCNH2 Q12809 1/20 0.43
PPARG P37231 2/20 0.42
PPARA Q07869 2/20 0.42
DPP4 P27487 1/20 0.41
CYP2E1 P05181 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2A6 P11509 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2B6 P20813 1/20 0.40
LPL P06858 1/20 0.40
LIPG Q9Y5X9 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
SCHEMBL10564184 0.83 LTA4H (0.61) LTA4HCYP17A1CYP11B1CYP11B2ERN1
SCHEMBL27594388 0.80 LTA4H (0.58) LTA4HCYP17A1CYP11B1CYP11B2ERN1
SCHEMBL28348024 0.80 LTA4H (0.62) LTA4HCYP17A1CYP11B1CYP11B2ERN1
SCHEMBL5828519 0.80 LTA4H (0.68) LTA4HCYP17A1CYP11B1CYP11B2ERN1
SCHEMBL4316723 0.79 LTA4H (0.56) LTA4HCYP17A1CYP11B1CYP11B2ERN1
SCHEMBL338810 0.78 LTA4H (0.70) LTA4HCYP17A1CYP11B1CYP11B2ERN1
SCHEMBL112455 0.78 LTA4H (1.00) LTA4HCYP17A1CYP11B1CYP11B2PRMT6
SCHEMBL28348015 0.76 LTA4H (0.53) LTA4HCYP17A1CYP11B1CYP11B2ERN1
SCHEMBL7455134 0.76 LTA4H (0.67) LTA4HCYP17A1CYP11B1CYP11B2ERN1
SCHEMBL1437852 0.76 LTA4H (0.68) LTA4HCYP17A1CYP11B1CYP11B2ERN1

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
EP-2190844-A2 IMIDAZO[L,2-a]PYRIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO Arena Pharmaceuticals, Inc. (US) 2010-06-02 EP disclosed
WO-2009109504-A1 ENOL CARBAMATE DERIVATIVES AS MODULATORS OF FATTY ACID AMIDE HYDROLASE SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2009-09-11 WO disclosed
WO-2009023253-A2 IMIDAZO[L,2-α]PYRIDINE DERIVATIVES AS MODULATORS OF THE 5-HT2A SEROTONIN RECEPTOR USEFUL FOR THE TREATMENT OF DISORDERS RELATED THERETO ARENA PHARMACEUTICALS INC. (US) 2009-02-19 WO disclosed