SCHEMBL18947673

SCHEMBL18947673

Cc1ccc(-c2cc3c4cccc(-c5ccc(C)c(C(F)(F)F)c5)c4ccc3c3ccccc23)cc1C

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 5/20 0.44
S1PR1 P21453 3/20 0.41
TRPA1 O75762 2/20 0.39
DHODH Q02127 1/20 0.37
NOTUM Q6P988 1/20 0.36
TLR8 Q9NR97 1/20 0.36
PGR P06401 2/20 0.36
HTR7 P34969 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
PDE3B Q13370 1/20 0.34
PDE3A Q14432 1/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 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
SCHEMBL18948630 0.96 AR (0.47) ARS1PR1TRPA1DHODHNOTUM
SCHEMBL18947658 0.94 S1PR1 (0.45) ARS1PR1TRPA1NOTUMPGR
SCHEMBL18948602 0.90 S1PR1 (0.48) ARS1PR1TRPA1NOTUMPGR
SCHEMBL18947659 0.87 S1PR1 (0.46) ARS1PR1TRPA1NOTUMPGR
SCHEMBL18947656 0.84 S1PR1 (0.39) ARS1PR1TRPA1DHODHNOTUM
SCHEMBL18947652 0.83 TLR8 (0.43) ARS1PR1TRPA1DHODHNOTUM
SCHEMBL18948607 0.82 S1PR1 (0.49) ARS1PR1TRPA1DHODHNOTUM
SCHEMBL18948609 0.80 S1PR1 (0.36) ARS1PR1TRPA1DHODHNOTUM
SCHEMBL18948605 0.80 S1PR1 (0.42) ARS1PR1TRPA1DHODHNOTUM
SCHEMBL18947655 0.79 S1PR1 (0.47) ARS1PR1NOTUMPDE3BPDE3A

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