SCHEMBL8794072

SCHEMBL8794072

COc1ccc(CCC(CCCc2c[nH]cn2)OC(CCCc2c[nH]cn2)CCc2ccc(OC)cc2)cc1.c1ccc(CC(CCCc2c[nH]cn2)OC(CCCc2c[nH]cn2)Cc2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.41
ABCB1 P08183 1/20 0.38
ALDH1A1 P00352 4/20 0.38
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
MMP1 P03956 2/20 0.36
MMP3 P08254 2/20 0.36
LTA4H P09960 1/20 0.36
MAPK1 P28482 1/20 0.36
MMP13 P45452 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4379250 0.91 HTT (0.39) SIGMAR1ALDH1A1KDM4EALOX15L3MBTL1
SCHEMBL4382430 0.88 CTSK (0.33)
SCHEMBL8105600 0.83 CYP19A1 (0.36) SIGMAR1
SCHEMBL19210356 0.81 SIGMAR1 (0.54) SIGMAR1ABCB1ALDH1A1TDP1KDM4E
SCHEMBL4381406 0.79 CYP19A1 (0.32)
SCHEMBL8116500 0.79 HRH3 (0.38)
SCHEMBL9119464 0.77 CYP19A1 (0.46) ALDH1A1MMP13KMT2A
SCHEMBL9119587 0.75 CYP19A1 (0.49) ALDH1A1MAPK1KMT2A
SCHEMBL4376567 0.74 LMNA (0.34) ALDH1A1KMT2A
SCHEMBL8118972 0.73 HMOX1 (0.34) SIGMAR1L3MBTL1MAPK1

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
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP claimed