SCHEMBL7664271

SCHEMBL7664271

Oc1ccc(-c2ccc(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 3/20 0.40
HDAC2 Q92769 3/20 0.40
LTA4H P09960 3/20 0.40
NR5A1 Q13285 1/20 0.40
ESR2 Q92731 3/20 0.39
ESR1 P03372 2/20 0.39
KIF11 P52732 1/20 0.38
APP P05067 1/20 0.38
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC10 Q969S8 2/20 0.38
HDAC11 Q96DB2 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL8725392 0.98 HDAC1 (0.40) HDAC1HDAC2LTA4HNR5A1ESR2
SCHEMBL9146595 0.95 LTA4H (0.43) LTA4HNR5A1ESR2ESR1APP
SCHEMBL8729533 0.84 HDAC1 (0.44) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL9141866 0.83 NR5A1 (0.50) HDAC1HDAC2LTA4HNR5A1APP
SCHEMBL9144611 0.83 USP2 (0.45) LTA4HNR5A1ESR2ESR1KIF11
SCHEMBL8724593 0.82 HDAC1 (0.43) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL9187863 0.81 RARB (0.51) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7661281 0.81 CHRNB2 (0.42) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL7673767 0.80 HDAC1 (0.40) HDAC1HDAC2KIF11HDAC3HDAC4
SCHEMBL9146037 0.79 ESR2 (0.41) LTA4HNR5A1ESR2ESR1KIF11

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
US-6388146-B1 AROMATIC UNSATURATED NOMONER SHARP KABUSHIKI KAISHA (JP) 2002-05-14 US disclosed
US-5814378-A ACRYLATED ESTER OF A BIPHENYL COMPOUND SHARP KABUSHIKI KAISHA (JP) 1998-09-29 US disclosed