SCHEMBL8527416

SCHEMBL8527416

CC1CC(c2ccc(OCCON=C(C(=O)O)c3ccccc3)cc2)c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 3/20 0.38
LMNA P02545 4/20 0.36
ALOX5 P09917 1/20 0.36
PKM P14618 1/20 0.36
MAPT P10636 3/20 0.36
RAB9A P51151 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.35
S1PR1 P21453 1/20 0.35
PARP10 Q53GL7 1/20 0.34
MAPK1 P28482 1/20 0.34
HRH3 Q9Y5N1 2/20 0.34
GAA P10253 1/20 0.34
NPC1 O15118 1/20 0.34

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
SCHEMBL8527412 0.78 SMN1; SMN2 (0.34) KDM4EALDH1A1LMNAMAPTRAB9A
SCHEMBL6153118 0.78 PKM (0.53) KDM4EALDH1A1LMNAPKMMAPT
SCHEMBL6152733 0.69 MRGPRX4 (0.46) KDM4ELMNAPKMMAPTRAB9A
SCHEMBL8527006 0.67 HIF1A (0.46)
SCHEMBL6152765 0.67 LMNA (0.51) ALDH1A1LMNAL3MBTL1MAPK1
SCHEMBL7599978 0.66 SIGMAR1 (0.47) HRH3
SCHEMBL2036589 0.66 SIGMAR1 (0.47) HRH3
SCHEMBL7609590 0.66 SIGMAR1 (0.47) HRH3
SCHEMBL8527009 0.65 SLC6A4 (0.35) ALDH1A1MAPTGAA
SCHEMBL7280319 0.65 TP53 (0.52)

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-5739140-A AGRICULTURAL FUNGICIDES MONSANTO COMPANY (US) 1998-04-14 US disclosed