SCHEMBL9876349

SCHEMBL9876349

C[CH]c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TNK2 Q07912 3/20 0.38
HSD11B1 P28845 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
PDE4B Q07343 1/20 0.36
DHFR P00374 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
HPGD P15428 3/20 0.34
KDM4C Q9H3R0 1/20 0.34
PTPN1 P18031 1/20 0.33
NPY1R P25929 1/20 0.33
NPY2R P49146 1/20 0.33
NPY4R P50391 1/20 0.33
NPY5R Q15761 1/20 0.33
ACP1 P24666 1/20 0.32

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
SCHEMBL3500438 0.86 TNK2 (0.44) KDM4EALDH1A1TNK2HSD11B1MEN1
SCHEMBL863095 0.84 ALDH1A1 (0.58) KDM4EALDH1A1TNK2MEN1KMT2A
SCHEMBL412542 0.84 ALDH1A1 (0.39) KDM4EALDH1A1TNK2HSD11B1MEN1
SCHEMBL818344 0.81 TNK2 (0.40) KDM4ETNK2HSD11B1MEN1KMT2A
SCHEMBL813805 0.81 NPC1 (0.46) KDM4EALDH1A1TNK2HSD11B1MEN1
SCHEMBL7416683 0.80 TRPA1 (0.39) KDM4EALDH1A1TNK2HSD11B1MEN1
SCHEMBL15441837 0.80 ALDH1A1 (0.54) KDM4EALDH1A1TNK2MEN1KMT2A
SCHEMBL14499415 0.80 KMT2A (0.39) KDM4EALDH1A1TNK2HSD11B1MEN1
SCHEMBL14499417 0.80 KMT2A (0.39) KDM4EALDH1A1TNK2HSD11B1MEN1
SCHEMBL5642392 0.80 KMT2A (0.39) KDM4EALDH1A1TNK2HSD11B1MEN1

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-5053507-A Liquid crystal dopants ARAKAWA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-10-01 US disclosed