SCHEMBL18948628

SCHEMBL18948628

Cc1ccc(-c2cccc3cc4c(-c5ccc(C)c(C(F)(F)F)c5)cccc4cc23)cc1C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 5/20 0.46
AR P10275 3/20 0.46
HSD17B1 P14061 2/20 0.44
HSD17B2 P37059 2/20 0.44
TLR8 Q9NR97 1/20 0.43
NOTUM Q6P988 1/20 0.40
DHODH Q02127 1/20 0.40
TRPA1 O75762 2/20 0.40
HSD11B1 P28845 2/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL18947652 0.95 TLR8 (0.43) S1PR1ARHSD17B1HSD17B2TLR8
SCHEMBL18948607 0.81 S1PR1 (0.49) S1PR1ARNOTUMDHODHTRPA1
SCHEMBL18948630 0.81 AR (0.47) S1PR1ARHSD17B1HSD17B2TLR8
SCHEMBL15607627 0.80 AR (0.48) S1PR1ARNOTUMTRPA1HSD11B1
SCHEMBL16767878 0.80 AR (0.51) S1PR1ARNOTUMTRPA1CTSS
SCHEMBL26373476 0.80 AR (0.58) S1PR1ARNOTUMTRPA1HSD11B1
SCHEMBL18948605 0.79 S1PR1 (0.42) S1PR1ARHSD17B1HSD17B2NOTUM
SCHEMBL18947673 0.78 AR (0.44) S1PR1ARHSD17B1HSD17B2TLR8
SCHEMBL18947659 0.77 S1PR1 (0.46) S1PR1ARNOTUMTRPA1CTSS
SCHEMBL18948627 0.77 S1PR1 (0.43) S1PR1ARHSD17B1HSD17B2NOTUM

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