SCHEMBL11237338

SCHEMBL11237338

CCCCc1cccc(P)c1Cc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.40
TLR8 Q9NR97 6/20 0.39
CYSLTR2 Q9NS75 5/20 0.39
CYSLTR1 Q9Y271 5/20 0.39
LMNA P02545 1/20 0.37
HTT P42858 1/20 0.37
LIPG Q9Y5X9 1/20 0.37
HTR2A P28223 1/20 0.36
CETP P11597 1/20 0.36

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
SCHEMBL11223719 0.90 HTR2A (0.38) SIGMAR1TLR8LMNAHTTHTR2A
SCHEMBL8087736 0.88 TLR8 (0.43) SIGMAR1TLR8CYSLTR2CYSLTR1LMNA
SCHEMBL301548 0.84 LIPG (0.40) TLR8CYSLTR2CYSLTR1HTTLIPG
SCHEMBL8099594 0.83 LIPG (0.49) SIGMAR1TLR8LIPG
SCHEMBL11223954 0.83 TP53 (0.41) LMNAHTTHTR2A
SCHEMBL8095441 0.81 LIPG (0.51) TLR8CYSLTR2CYSLTR1LIPG
SCHEMBL8095518 0.81 TLR8 (0.44) SIGMAR1TLR8CYSLTR2CYSLTR1LMNA
SCHEMBL8096674 0.81 LIPG (0.51) TLR8CYSLTR2CYSLTR1LIPG
SCHEMBL8101482 0.81 LIPG (0.51) TLR8CYSLTR2CYSLTR1LIPG
SCHEMBL4250559 0.81 CALM1 (0.44) HTR2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4339569-A BULK POLYMERIZATION, BORON TRIFLUORIDE CATALYSTS MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1982-07-13 US disclosed
US-4087411-A TRIOXANE, BORON FLUORIDE-TYPE CATALYST MITSUBISHI GAS CHEMICAL COMPANY, INC. (JA) 1978-05-02 US disclosed