SCHEMBL18948620

SCHEMBL18948620

Cc1ccc(-c2ccc(-c3ccc(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)cc1C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 7/20 0.51
S1PR3 Q99500 3/20 0.42
AR P10275 3/20 0.41
NOTUM Q6P988 1/20 0.40
PLK1 P53350 1/20 0.40
MAPT P10636 1/20 0.39
KIF11 P52732 1/20 0.39
TAS2R14 Q9NYV8 1/20 0.38
PDK2 Q15119 1/20 0.38
ESR2 Q92731 1/20 0.38
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
HSD11B1 P28845 1/20 0.37

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
SCHEMBL18947643 0.96 S1PR1 (0.48) S1PR1S1PR3ARNOTUMPLK1
SCHEMBL18948621 0.92 S1PR1 (0.50) S1PR1S1PR3ARNOTUMPLK1
SCHEMBL18371853 0.92 S1PR1 (0.45) S1PR1S1PR3ARNOTUMPLK1
SCHEMBL18948618 0.90 S1PR1 (0.56) S1PR1S1PR3ARNOTUMKIF11
SCHEMBL18947649 0.88 S1PR1 (0.47) S1PR1S1PR3ARNOTUMPLK1
SCHEMBL4636314 0.88 S1PR1 (0.60) S1PR1S1PR3ARNOTUMKIF11
SCHEMBL18947647 0.86 S1PR1 (0.52) S1PR1ARNOTUMMAPTKIF11
SCHEMBL18371851 0.85 S1PR1 (0.44) S1PR1S1PR3ARNOTUMMAPT
SCHEMBL18948603 0.84 S1PR1 (0.51) S1PR1ARNOTUMKIF11TAS2R14
SCHEMBL18371852 0.84 PTGS2 (0.41) S1PR1S1PR3ARPLK1MAPT

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
US-9676906-B1 Polymer of poly(arylene ether)s, manufacturing method thereof and polymer light emitting diode with organic light emitting layer made from the same NATIONAL SUN YAT-SEN UNIVERSITY (TW) 2017-06-13 US disclosed