SCHEMBL10695936

SCHEMBL10695936

COc1ccc(CCCC(O)Cc2cccnc2)cc1OC

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 13/20 0.52
STAT3 P40763 1/20 0.51
MAPK1 P28482 1/20 0.50
CYP51A1 Q16850 1/20 0.49
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
USP2 O75604 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL10695591 0.84 PTAFR (0.48) PTAFRHTT
SCHEMBL10694457 0.81 KMT2A (0.46) PTAFRL3MBTL1HTT
SCHEMBL10696169 0.79 TBXAS1 (0.49) L3MBTL1
SCHEMBL6160644 0.78 PTAFR (0.49) PTAFR
SCHEMBL10695814 0.77 MEN1 (0.44) MAPK1ALDH1A1L3MBTL1HTT
SCHEMBL7167724 0.77 CYP51A1 (0.66) STAT3MAPK1CYP51A1ALDH1A1NPSR1
SCHEMBL10772217 0.76 STAT3 (0.65) STAT3
SCHEMBL10696517 0.76 KMT2A (0.49) PTAFRALDH1A1HTT
SCHEMBL6160639 0.76 PTAFR (0.59) PTAFRMAPK1ALDH1A1NPSR1USP2
SCHEMBL3923399 0.74 CYP2A6 (0.59) L3MBTL1

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-0267439-A2 Alpha-(phenylalkyl) pyridinealkanol derivatives G.D. Searle & Co. (US) 1988-05-18 EP claimed
EP-0267439-A2 Alpha-(phenylalkyl) pyridinealkanol derivatives G.D. Searle & Co. (US) 1988-05-18 EP disclosed