SCHEMBL11370893

SCHEMBL11370893

CCCCCCCCCCCCCCCCNC1(F)C=CC(C(=O)CC(=O)OCC)=CC1

nearest known ligand 0.32

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NR4A1 P22736 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
FAAH O00519 1/20 0.31
NAMPT P43490 1/20 0.31
MIF P14174 1/20 0.31
MGAM O43451 1/20 0.30
GAA P10253 1/20 0.30
SI P14410 1/20 0.30
MGAM2 Q2M2H8 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL11563305 0.65 S1PR3 (0.49) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL11563317 0.65 S1PR3 (0.49) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL11561631 0.65 S1PR3 (0.49) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL11558047 0.65 S1PR3 (0.49) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL11557503 0.65 S1PR3 (0.49) ALDH1A1LMNAKDM4EMEN1KMT2A
SCHEMBL2583169 0.60 NAAA (0.59) MEN1KMT2AFAAHMGAMGAA
Heptane SCHEMBL695723 0.59 GAA (0.58) ALDH1A1MEN1KMT2AFAAHMGAM
SCHEMBL1392816 0.58 LTA4H (0.51) ALDH1A1KMT2AFAAHMGAMGAA
SCHEMBL6037465 0.58 LTA4H (0.51) ALDH1A1KMT2AFAAHMGAMGAA
SCHEMBL8865384 0.58 LTA4H (0.51) ALDH1A1KMT2AFAAHMGAMGAA

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-4243609-A ANTILIPEMIC AGENTS, ANTIATHEROSCLEROTIC AGENTS AMERICAN CYANAMID COMPANY (US) 1981-01-06 US disclosed