SCHEMBL4652045

SCHEMBL4652045

CC1=Cc2c(Br)cc(-c3ccccc3)cc2C1C(C)C1C(C)=Cc2c(Br)cc(-c3ccccc3)cc21

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
AKR1C4 P17516 1/20 0.33
AKR1C3 P42330 1/20 0.33
AKR1C2 P52895 1/20 0.33
AKR1C1 Q04828 1/20 0.33

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
SCHEMBL4652203 0.86 LMNA (0.31)
SCHEMBL4653367 0.81 KCNH2 (0.32)
SCHEMBL4652002 0.80 PPARG (0.33)
SCHEMBL1452572 0.79 CRHBP (0.39) CRHBPCRHR2AKR1C4AKR1C3AKR1C2
SCHEMBL4651165 0.78
SCHEMBL1452311 0.78 CRHBP (0.40) CRHBPCRHR2AKR1C4AKR1C3AKR1C2
SCHEMBL1452192 0.78 CRHBP (0.40) CRHBPCRHR2AKR1C4AKR1C3AKR1C2
SCHEMBL1453331 0.77 CRHBP (0.39) CRHBPCRHR2AKR1C4AKR1C3AKR1C2
SCHEMBL4652286 0.75
SCHEMBL4653310 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1971621-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS ExxonMobil Chemical Patents Inc. (US) 2008-09-24 EP disclosed
WO-2007070045-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2007-06-21 WO disclosed