SCHEMBL27440375

SCHEMBL27440375

COc1cc2cc[nH]c2cc1CCCCl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 1/20 0.46
TLR7 Q9NYK1 1/20 0.46
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37

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
SCHEMBL18475349 0.82 TLR8 (0.51) TLR8TLR7MEN1POLBMAPK1
SCHEMBL1544861 0.82 TLR8 (0.48) TLR8TLR7MEN1POLBMAPK1
SCHEMBL1545308 0.82 TLR8 (0.48) TLR8TLR7MEN1POLBMAPK1
SCHEMBL1748737 0.75 TLR8 (0.60) TLR8TLR7MEN1POLBMAPK1
SCHEMBL17429741 0.73 PDE3B (0.50) TLR8TLR7MEN1POLBMAPK1
SCHEMBL7866316 0.73 CSNK2A1 (0.55) TLR8TLR7MEN1POLBMAPK1
SCHEMBL7756643 0.72 NR4A2 (0.43) NR4A2
SCHEMBL622083 0.71 GPR84 (0.38) TLR8TLR7MEN1POLBMAPK1
SCHEMBL187054 0.71 TLR8 (0.55) TLR8TLR7MEN1POLBMAPK1
SCHEMBL8792772 0.71 SLC6A4 (0.47) POLBHTR2A

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-1136275-A Arylheterocyclylpiperidines, pyrrolidines and piperazines and their use as antipsychotics and analgesics HOECHST ROUSSEL PHARMA (US) 1996-11-20 CN disclosed