SCHEMBL9716955

SCHEMBL9716955

CCCCCCCCOC(=Cc1ccccc1)C(N)=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.51
LMNA P02545 3/20 0.51
TSHR P16473 2/20 0.51
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP3A4 P08684 2/20 0.49
TP53 P04637 1/20 0.49
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
NR1I2 O75469 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRA2A P08913 1/20 0.47
OPRK1 P41145 1/20 0.47
HTR2B P41595 1/20 0.47
SLC6A3 Q01959 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47

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
SCHEMBL538804 0.88 LMNA (0.54) ALDH1A1LMNATSHRKDM4EPOLB
SCHEMBL8092299 0.88 LMNA (0.54) ALDH1A1LMNATSHRKDM4EPOLB
SCHEMBL5176548 0.88 LMNA (0.54) ALDH1A1LMNATSHRKDM4EPOLB
SCHEMBL10350181 0.88 LMNA (0.54) ALDH1A1LMNATSHRKDM4EPOLB
SCHEMBL10497654 0.86 CES2 (0.51) ALDH1A1LMNATSHRKDM4EPOLB
SCHEMBL27946955 0.84 CES2 (0.50) ALDH1A1LMNATSHRKDM4EPOLB
SCHEMBL27636742 0.83 TSHR (0.49) ALDH1A1LMNATSHRKDM4EPOLB
SCHEMBL8154501 0.82 TSHR (0.48) ALDH1A1LMNATSHRKDM4EPOLB
SCHEMBL5549124 0.82 LMNA (0.46) ALDH1A1LMNATSHRKDM4EPOLB
SCHEMBL5078093 0.82 TDP1 (0.51) ALDH1A1LMNATSHRKDM4EHSD17B10

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
WO-1992009561-A1 NEW AMIDE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1992-06-11 WO disclosed