SCHEMBL18948610

SCHEMBL18948610

Cc1cc(-c2c3ccccc3c(-c3cc(C)c(-c4ccc(C)c(C(F)(F)F)c4)cc3C)c3ccccc23)c(C)cc1-c1ccc(C)c(C(F)(F)F)c1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.45
AR P10275 5/20 0.44
NOTUM Q6P988 1/20 0.40
TRPA1 O75762 1/20 0.39
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
HSD11B1 P28845 2/20 0.36
PGR P06401 2/20 0.36
PDK2 Q15119 1/20 0.35
TAS2R14 Q9NYV8 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
SCN9A Q15858 1/20 0.34

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
SCHEMBL18947664 0.96 S1PR1 (0.42) S1PR1ARNOTUMTRPA1PDE3B
SCHEMBL18948623 0.85 S1PR1 (0.50) S1PR1ARNOTUMTRPA1PDE3B
SCHEMBL18948607 0.83 S1PR1 (0.49) S1PR1ARNOTUMTRPA1PDE3B
SCHEMBL18948622 0.83 S1PR1 (0.49) S1PR1ARNOTUMTRPA1PDE3B
SCHEMBL18948602 0.82 S1PR1 (0.48) S1PR1ARNOTUMTRPA1PDE3B
SCHEMBL18948611 0.82 S1PR1 (0.48) S1PR1ARNOTUMPDE3BPDE3A
SCHEMBL18948629 0.81 S1PR1 (0.47) S1PR1ARNOTUMTRPA1PDE3B
SCHEMBL18947655 0.81 S1PR1 (0.47) S1PR1ARNOTUMPDE3BPDE3A
SCHEMBL18947650 0.79 S1PR1 (0.46) S1PR1ARNOTUMPDE3BPDE3A
SCHEMBL18948612 0.79 S1PR1 (0.52) S1PR1ARNOTUMPDE3BPDE3A

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