SCHEMBL5721780

SCHEMBL5721780

CC(C)CC1=Cc2c(ccc(-c3ccccc3)c2-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[CH]1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 11/20 0.36
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
METAP2 P50579 1/20 0.33
AKR1C3 P42330 3/20 0.32
AKR1C2 P52895 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.31
MET P08581 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
SCHEMBL5721863 0.90 RXRA (0.31)
SCHEMBL5721418 0.88 TACR1 (0.38) TACR1CNR1CNR2METAP2AKR1C3
SCHEMBL5721618 0.85 TACR1 (0.36) TACR1CNR1CNR2METAP2AKR1C3
SCHEMBL5721450 0.83 TACR1 (0.36) TACR1CNR1CNR2METAP2AKR1C3
SCHEMBL5721474 0.83 IKBKB (0.35)
SCHEMBL5721927 0.83 TACR1 (0.35) TACR1CNR1CNR2METAP2AKR1C3
SCHEMBL5721156 0.82
SCHEMBL5721089 0.81
SCHEMBL5721646 0.81 RXRA (0.33) AKR1C3AKR1C2
SCHEMBL5721520 0.81 AKR1C3 (0.35) TACR1CNR1CNR2METAP2AKR1C3

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