SCHEMBL18948618

SCHEMBL18948618

Cc1ccc(-c2ccc(-c3c(-c4ccccc4)c(-c4ccccc4)c(-c4ccc(-c5ccc(C)c(C(F)(F)F)c5)cc4)c(-c4ccccc4)c3-c3ccccc3)cc2)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.56
KIF11 P52732 1/20 0.44
NOTUM Q6P988 1/20 0.43
AR P10275 3/20 0.43
TAS2R14 Q9NYV8 1/20 0.41
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
TNKS2 Q9H2K2 1/20 0.39
ESR1 P03372 1/20 0.38
RXRA P19793 1/20 0.38
RXRB P28702 1/20 0.38
RXRG P48443 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
NR1H2 P55055 1/20 0.38
HSD11B1 P28845 1/20 0.37
S1PR3 Q99500 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
SCHEMBL18947647 0.95 S1PR1 (0.52) S1PR1KIF11NOTUMARTAS2R14
SCHEMBL4636314 0.94 S1PR1 (0.60) S1PR1KIF11NOTUMARTAS2R14
SCHEMBL18948603 0.94 S1PR1 (0.51) S1PR1KIF11NOTUMARTAS2R14
SCHEMBL18948621 0.92 S1PR1 (0.50) S1PR1KIF11NOTUMARTAS2R14
SCHEMBL18371855 0.91 S1PR1 (0.49) S1PR1KIF11NOTUMARTAS2R14
SCHEMBL18948620 0.90 S1PR1 (0.51) S1PR1KIF11NOTUMARTAS2R14
SCHEMBL18947657 0.89 S1PR1 (0.48) S1PR1KIF11NOTUMARTAS2R14
SCHEMBL18948612 0.88 S1PR1 (0.52) S1PR1KIF11NOTUMARTAS2R14
SCHEMBL18947649 0.88 S1PR1 (0.47) S1PR1KIF11NOTUMARTAS2R14
SCHEMBL18948611 0.88 S1PR1 (0.48) S1PR1NOTUMARTAS2R14PDE3B

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