SCHEMBL28025673

SCHEMBL28025673

CCCCCCOc1c(F)[c]ccc1F

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR5A1 Q13285 1/20 0.39
TLR4 O00206 3/20 0.38
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
LTA4H P09960 3/20 0.34
PLA2G4B P0C869 1/20 0.34
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
FAAH O00519 4/20 0.33

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
SCHEMBL27373651 0.85 MEN1 (0.38) NR5A1TLR4TSHRTP53THRA
SCHEMBL27396143 0.84 NR5A1 (0.44) NR5A1TLR4TSHRTP53LTA4H
SCHEMBL27372575 0.84 THRA (0.41) NR5A1TLR4TSHRTP53THRA
SCHEMBL976594 0.80 NQO1 (0.34) TLR4
SCHEMBL6742020 0.80 NR5A1 (0.47) NR5A1TLR4TSHRTP53LTA4H
SCHEMBL2959622 0.78 CYP1A2 (0.40) NR5A1TLR4TSHRLTA4H
SCHEMBL2959620 0.78 CCNB2 (0.34) NR5A1TLR4TSHRLTA4H
SCHEMBL15564752 0.77 TSHR (0.47) NR5A1TSHRLTA4HFAAH
SCHEMBL9698626 0.77 MEN1 (0.39) NR5A1TSHRTP53THRATHRB
SCHEMBL9699822 0.77 MEN1 (0.39) NR5A1TSHRTP53THRATHRB

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
CN-104781267-A Light emitting compounds UNIV NORTHUMBRIA NEWCASTLE 2015-07-15 CN disclosed