SCHEMBL7200037

SCHEMBL7200037

OC1(c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2c(F)c(F)c(F)c(F)c2-c2c(F)c(F)c(F)c(F)c21

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.34
P2RX1 P51575 1/20 0.31
KDM1A O60341 2/20 0.30
OPRL1 P41146 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
AKR1C1 Q04828 1/20 0.30
CCR2 P41597 1/20 0.30

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
SCHEMBL5872319 0.72 CES2 (0.39) CES2P2RX1
SCHEMBL5872347 0.69
SCHEMBL17555046 0.68 IKBKB (0.43) CES2AKR1C3AKR1C2AKR1C1
SCHEMBL24254714 0.65 RXRA (0.41) CES2AKR1C3AKR1C2AKR1C1
SCHEMBL440959 0.63 CES2 (0.58) CES2
SCHEMBL18726215 0.60 OPRL1 (0.43) CES2OPRL1
SCHEMBL5872356 0.60 IDO1 (0.34) CES2KDM1A
SCHEMBL4461544 0.59 CES2 (0.48) CES2P2RX1
SCHEMBL17563223 0.58 SLC1A3 (0.50) KDM1AAKR1C3AKR1C2
SCHEMBL3786224 0.57 RAPGEF4 (0.47) CES2P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596891-B1 Reaction product of fluoroorganic compound and organometallic compound ENICHEM S.P.A. (IT) 2003-07-22 US disclosed
EP-1013675-B1 Activating composition of metallocene complexes in the catalysis of (co)polymerization processes of olefins POLIMERI EUROPA SPA (IT) 2002-07-31 EP disclosed
EP-1013675-A2 Activating composition of metallocene complexes in the catalysis of (co)polymerization processes of olefins Enichem S.p.A. (IT) 2000-06-28 EP disclosed