SCHEMBL5721463

SCHEMBL5721463

CC(C)c1cc(-c2c(-c3ccccc3)ccc3c2C=C(c2ccccc2)[CH]3)cc(C(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
METAP2 P50579 1/20 0.37
PTGS1 P23219 3/20 0.31
MEN1 O00255 2/20 0.31
PTGS2 P35354 2/20 0.31
KMT2A Q03164 2/20 0.31
FABP2 P12104 1/20 0.31
TSHR P16473 1/20 0.31
AKR1C4 P17516 1/20 0.31
ADRA2B P18089 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2C P28335 1/20 0.31
DRD3 P35462 1/20 0.31
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
AKR1C1 Q04828 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL5610232 0.86 METAP2 (0.32) METAP2
SCHEMBL5721939 0.86 METAP2 (0.37) METAP2PTGS1MEN1PTGS2KMT2A
SCHEMBL5609288 0.83 METAP2 (0.30) METAP2
SCHEMBL5721253 0.83 METAP2 (0.35) METAP2
SCHEMBL5721381 0.82 METAP2 (0.33) METAP2
SCHEMBL5721563 0.81 METAP2 (0.32) METAP2
SCHEMBL5721723 0.81 METAP2 (0.34) METAP2
SCHEMBL5721749 0.80 CA12 (0.35)
SCHEMBL5609067 0.78 RXRA (0.35)
SCHEMBL5609823 0.76 HDAC4 (0.32) PTGS2HPGD

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
EP-1640377-A1 Metallocenes and catalyst compositions derived therefrom Exxonmobil Chemical Patents Inc. (US) 2006-03-29 EP disclosed