SCHEMBL8808145

SCHEMBL8808145

Clc1ccc(Oc2ccc(CNC3CCCCCC3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.76
HRH3 Q9Y5N1 3/20 0.60
FOXM1 Q08050 1/20 0.52
LMNA P02545 1/20 0.51
ALOX12 P18054 1/20 0.51
EPHX1 P07099 1/20 0.51
ACHE P22303 3/20 0.51
BCHE P06276 2/20 0.50
BACE1 P56817 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
HDAC1 Q13547 1/20 0.49
ALDH1A1 P00352 2/20 0.46
CXCL12 P48061 1/20 0.46
CXCR4 P61073 1/20 0.46
TSHR P16473 1/20 0.46
GLA P06280 1/20 0.45
HTT P42858 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 1/20 0.44

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
SCHEMBL11615671 0.90 POLB (0.93) POLBHRH3FOXM1LMNAALOX12
SCHEMBL5863714 0.90 POLB (0.93) POLBHRH3FOXM1LMNAALOX12
SCHEMBL11112228 0.88 POLB (0.96) POLBHRH3LMNAALOX12EPHX1
SCHEMBL9056626 0.86 HRH3 (0.62) POLBHRH3LMNAALOX12EPHX1
SCHEMBL8497509 0.86 HRH3 (0.62) POLBHRH3LMNAALOX12EPHX1
SCHEMBL8809145 0.85 POLB (0.83) POLBHRH3LMNAALOX12EPHX1
SCHEMBL31083251 0.85 POLB (0.89) POLBHRH3LMNAALOX12EPHX1
SCHEMBL8812297 0.84 HRH3 (0.60) POLBHRH3ACHEBCHEBACE1
SCHEMBL8810030 0.84 HRH3 (0.60) POLBHRH3LMNAACHEBCHE
SCHEMBL8494718 0.84 HRH3 (0.59) POLBHRH3LMNAALOX12EPHX1

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
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 WO disclosed