SCHEMBL28835874

SCHEMBL28835874

Oc1ccc(-c2cc(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 2/20 0.60
AR P10275 3/20 0.58
ESR1 P03372 4/20 0.54
ABL1 P00519 3/20 0.50
ABCB1 P08183 3/20 0.50
BCR P11274 3/20 0.50
ESR2 Q92731 3/20 0.48
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
APP P05067 1/20 0.42
ALOX5 P09917 1/20 0.41
HSD17B1 P14061 2/20 0.41
HSD17B2 P37059 2/20 0.41
USP7 Q93009 1/20 0.41
MMP3 P08254 1/20 0.41
BCL2L1 Q07817 1/20 0.41

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
SCHEMBL395557 0.79 KIF11 (0.39) KIF11ARESR2APPHSD17B1
SCHEMBL7913380 0.78 KIF11 (0.66) KIF11ARESR1ABL1ABCB1
SCHEMBL28242953 0.78 KIF11 (0.59) KIF11ARESR1ABL1ABCB1
SCHEMBL322688 0.78 KIF11 (0.59) KIF11ARESR2
SCHEMBL4824826 0.76 KIF11 (0.71) KIF11ARESR1ABL1ABCB1
SCHEMBL24617945 0.72 ESR1 (1.00) KIF11ESR1ABL1ABCB1BCR
SCHEMBL187833 0.72 ESR1 (1.00) KIF11ESR1ABL1ABCB1BCR
SCHEMBL920655 0.72 ESR1 (1.00) KIF11ESR1ABL1ABCB1BCR
SCHEMBL28415938 0.72 HSD17B1 (0.59) KIF11ARESR1ABL1ABCB1
SCHEMBL28217088 0.72 KIF11 (0.59) KIF11ARESR1ABL1ABCB1

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
CN-104011083-B Use the polymerization of the particle containing surfactant 住友化学株式会社 2016-12-21 CN disclosed