SCHEMBL7913729

SCHEMBL7913729

N#Cc1ccc(O)c(CCCCCO)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 5/20 0.36
ACHE P22303 2/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA3 P07451 1/20 0.35
CA6 P23280 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
TSHR P16473 2/20 0.35
HSD17B10 Q99714 1/20 0.35
ANO1 Q5XXA6 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
SLC6A4 P31645 1/20 0.34
MEN1 O00255 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
ALOX5 P09917 1/20 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
SCHEMBL7879464 0.83 TSHR (0.49) TSHRHSD17B10MEN1TP53CYP3A4
SCHEMBL10465908 0.81 TYR (0.47) TSHRHSD17B10MEN1TP53CYP3A4
SCHEMBL17672760 0.80 TTR (0.36) CA12CA2CA3CA6CA9
SCHEMBL17672994 0.80 ALDH1A1 (0.34) CA12CA2CA3CA6CA9
SCHEMBL6214320 0.78 KLF10 (0.46) KDM1AMAOACA12CA2CA3
SCHEMBL1400680 0.77 ALOX5 (0.46) CA12CA2CA3CA6CA9
SCHEMBL580272 0.77 ALOX15 (0.50) BCHEACHETSHRHSD17B10MEN1
SCHEMBL581502 0.77 ALOX15 (0.50) BCHEACHETSHRHSD17B10MEN1
SCHEMBL586745 0.77 ALOX15 (0.50) BCHEACHETSHRHSD17B10MEN1
SCHEMBL9453919 0.77 ALOX15 (0.50) BCHEACHETSHRHSD17B10MEN1

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
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed