SCHEMBL19798765

SCHEMBL19798765

CC(C)COC(O)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.44
AOC3 Q16853 1/20 0.43
KDM4E B2RXH2 3/20 0.42
ADRA2C P18825 2/20 0.42
ADRA2A P08913 1/20 0.42
HIF1A Q16665 1/20 0.42
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.41
HPGD P15428 1/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
CHRM2 P08172 1/20 0.39
ADRA1A P35348 1/20 0.39
RGS12 O14924 1/20 0.39
GLA P06280 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
PKM P14618 1/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL19737689 0.81 KDM4E (0.40) LMNAAOC3KDM4EALDH1A1HPGD
SCHEMBL18596502 0.81 KDM4E (0.40) LMNAAOC3KDM4EALDH1A1HPGD
SCHEMBL6558978 0.80 LMNA (0.41) LMNAAOC3KDM4EADRA2CADRA2A
SCHEMBL366712 0.78 LMNA (0.52) LMNAAOC3KDM4EADRA2CADRA2A
SCHEMBL3092744 0.78 TAAR1 (0.41) LMNAAOC3KDM4EADRA2AALDH1A1
SCHEMBL13676858 0.78 TACR1 (0.46) LMNAKDM4EADRA2AALDH1A1TSHR
SCHEMBL873109 0.78 KDM4E (0.44) LMNAKDM4EALDH1A1TSHRMEN1
SCHEMBL19506441 0.77 KDM4E (0.37) LMNAAOC3KDM4EADRA2CADRA2A
SCHEMBL14945475 0.76 GSR (0.47) LMNAAOC3KDM4EALDH1A1TSHR
SCHEMBL14945472 0.76 GSR (0.47) LMNAAOC3KDM4EALDH1A1TSHR

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-20180021467-A1 METHOD OF BLOCKING PERCEPTION OF MALODOR MONELL CHEMICAL SENSES CENTRE (US) 2018-01-25 US disclosed