SCHEMBL4227901

SCHEMBL4227901

CCCCCn1ccnc1CC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.68
ALDH1A1 P00352 3/20 0.56
POLB P06746 1/20 0.56
KMT2A Q03164 1/20 0.56
ALPG P10696 2/20 0.40
PLAA Q9Y263 1/20 0.40
ALPL P05186 1/20 0.39
TBXAS1 P24557 1/20 0.39
KCNH2 Q12809 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CTSS P25774 1/20 0.36
CTSK P43235 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
SCHEMBL4230750 0.98 TLR8 (0.66) TLR8ALDH1A1POLBKMT2AALPG
SCHEMBL1879407 0.98 TLR8 (0.66) TLR8ALDH1A1POLBKMT2AALPG
SCHEMBL6889380 0.98 TLR8 (0.66) TLR8ALDH1A1POLBKMT2AALPG
SCHEMBL11531858 0.98 TLR8 (0.66) TLR8ALDH1A1POLBKMT2AALPG
SCHEMBL902006 0.98 TLR8 (0.66) TLR8ALDH1A1POLBKMT2AALPG
Hydrochloric Acid SCHEMBL29272024 0.96 TLR8 (0.67) TLR8ALDH1A1POLBKMT2AALPG
Bromide SCHEMBL28568345 0.96 TLR8 (0.64) TLR8ALDH1A1POLBKMT2AALPG
Hydrochloric Acid SCHEMBL10768898 0.96 TLR8 (0.67) TLR8ALDH1A1POLBKMT2AALPG
SCHEMBL329466 0.94 ALDH1A1 (0.63) TLR8ALDH1A1POLBKMT2AALPG
Iodide SCHEMBL4267902 0.92 ALDH1A1 (0.61) TLR8ALDH1A1POLBKMT2AALPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009102419-A2 ALUMINUM RECOVERY PROCESS THE UNIVERSITY OF ALABAMA (US) 2009-08-20 WO claimed
WO-2009131692-A1 SUBSTRATES FOR DELIVERY OF PHYSIOLOGICALLY ACTIVE AGENTS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ALABAMA (US) 2009-10-29 WO disclosed
WO-2009102419-A2 ALUMINUM RECOVERY PROCESS THE UNIVERSITY OF ALABAMA (US) 2009-08-20 WO disclosed
EP-0897395-A1 POLYMERS CONTAINING $g(b)-HYDROXY ALKYL VINYL AMINE UNITS, PROCESS FOR THEIR PRODUCTION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1999-02-24 EP disclosed
WO-1997042229-A1 POLYMERS CONTAINING β-HYDROXY ALKYL VINYL AMINE UNITS, PROCESS FOR THEIR PRODUCTION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-11-13 WO disclosed
US-4870093-A MEDICINAL FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1989-09-26 US disclosed
US-4652579-A AZOLE FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1987-03-24 US disclosed
US-4301166-A FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-11-17 US disclosed
US-4246274-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-01-20 US disclosed
US-4079062-A ANTIMICROBIAL, PLANT GROWTH REGULATORS; 1-(B-ARYL)ETHYL-1H-1,2,4-TRIAZOLE KETALS JANSSEN PHARMACEUTICA N.V. (BE) 1978-03-14 US disclosed