SCHEMBL7681978

SCHEMBL7681978

COC(=O)Cc1cc(Br)c(Oc2cc(C(C)C)c(OC)cc2C(=O)c2cccc(Br)c2)c(Br)c1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.71
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
THRA P10827 12/20 0.38
THRB P10828 12/20 0.38
LPAR1 Q92633 1/20 0.36
LMNA P02545 2/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL5630623 0.92 NR3C1 (0.85) NR3C1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7054470 0.92 NR3C1 (0.84) NR3C1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7053515 0.92 NR3C1 (0.72) NR3C1CYP1A2CYP2C19THRATHRB
SCHEMBL7054017 0.91 NR3C1 (0.69) NR3C1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7688423 0.91 NR3C1 (0.69) NR3C1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7052864 0.91 NR3C1 (0.69) NR3C1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7677871 0.89 NR3C1 (0.66) NR3C1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7054015 0.89 NR3C1 (0.66) NR3C1THRATHRBLMNA
SCHEMBL7049805 0.88 NR3C1 (0.65) NR3C1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL7050858 0.87 NR3C1 (0.64) NR3C1CYP1A2CYP3A4CYP2C9CYP2C19

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-6492424-B1 Glucocorticoid and thyroid hormone receptor ligands for the treatment of metabolic disorders KARO BIO AB (SE) 2002-12-10 US disclosed