SCHEMBL7598502

SCHEMBL7598502

CCC(=O)Oc1c(Nc2ccccc2C(=O)c2ccccc2)cccc1OCCc1nc(N2CCN(C)CC2)sc1C

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 17/20 0.59
PPARA Q07869 11/20 0.59
DRD2 P14416 1/20 0.37
DRD1 P21728 1/20 0.37
DRD3 P35462 1/20 0.37
DYRK1A Q13627 1/20 0.35
PPARD Q03181 1/20 0.34

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
SCHEMBL4068968 0.78 PPARG (0.56) PPARGPPARAPPARD
SCHEMBL2785140 0.74 PPARG (1.00) PPARGPPARAPPARD
Hydrochloric Acid SCHEMBL7705753 0.73 PPARG (0.98) PPARGPPARAPPARD
Hydrochloric Acid SCHEMBL7705758 0.73 PPARG (0.98) PPARGPPARAPPARD
SCHEMBL2785015 0.72 MEN1 (0.47) PPARG
SCHEMBL5418415 0.67 PPARG (0.41) PPARGPPARA
SCHEMBL5768928 0.67 PPARG (0.44) PPARGPPARA
SCHEMBL4648482 0.67 ELANE (0.36) PPARG
Hydrochloric Acid SCHEMBL5420491 0.66 PPARG (0.43) PPARGPPARA
SCHEMBL2786718 0.66 PPARG (1.00) PPARGPPARAPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20020137794-A1 Retinoic acid receptor (RAR) agonists, agonists for steroid/thyroid hormone receptor superfamily, and an agonist for a heterodimer partner SALK INSTITUTE FOR BIOLOGICAL STUDIES, THE 2002-09-26 US claimed
US-20020137794-A1 Retinoic acid receptor (RAR) agonists, agonists for steroid/thyroid hormone receptor superfamily, and an agonist for a heterodimer partner SALK INSTITUTE FOR BIOLOGICAL STUDIES, THE 2002-09-26 US disclosed
US-6436993-B1 SYNERGISTIC MIXTURES OF RETINOIC ACID RECEPTOR (RAR) ANTAGONISTS AND STEROID, THYROID OR RETINOID RECEPTOR AGONISTS SUCH AS PEROXISOME PROLIFERATOR ACTIVATED RECEPTORS USED TO CONTROL CELLULAR PROCESSES THE SALK INSTITUTE FOR BIOLOGICAL STUDIES 2002-08-20 US disclosed
WO-2001003659-A1 USE OF RAR ANTAGONISTS AS MODULATORS OF HORMONE MEDIATED PROCESSES THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2001-01-18 WO disclosed