SCHEMBL9770209

SCHEMBL9770209

CC(CC(Oc1ccccc1)Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
LMNA P02545 1/20 0.41
LTA4H P09960 1/20 0.39
KDM4E B2RXH2 1/20 0.38
SLC6A4 P31645 1/20 0.38
MAOA P21397 2/20 0.37
PTGS1 P23219 1/20 0.37
CA4 P22748 1/20 0.37
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
CHRNB4 P30926 2/20 0.36
CHRNA3 P32297 2/20 0.36
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL9870647 0.89 MTNR1A (0.53) MTNR1AMTNR1BLMNALTA4HKDM4E
SCHEMBL9870637 0.89 MTNR1A (0.53) MTNR1AMTNR1BLMNALTA4HKDM4E
SCHEMBL16254957 0.84 MTNR1A (0.55) MTNR1AMTNR1BLMNALTA4HKDM4E
SCHEMBL14681530 0.81 LMNA (0.53) MTNR1AMTNR1BLMNALTA4HCYP1A2
SCHEMBL11327496 0.81 LMNA (0.53) MTNR1AMTNR1BLMNALTA4HCYP1A2
SCHEMBL14681486 0.81 MTNR1A (0.47) MTNR1AMTNR1BLMNALTA4HSLC6A4
SCHEMBL14681592 0.81 MTNR1A (0.47) MTNR1AMTNR1BLMNALTA4HSLC6A4
SCHEMBL11696221 0.81 LMNA (0.53) MTNR1AMTNR1BLMNAKDM4ESLC6A4
SCHEMBL1142634 0.81 LMNA (0.53) MTNR1AMTNR1BLMNALTA4HCYP1A2
SCHEMBL14681578 0.81 LMNA (0.53) MTNR1AMTNR1BLMNALTA4HCYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4981836-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1991-01-01 US disclosed
US-4835133-A Recording material FUJI PHOTO FILM CO., LTD. (JP) 1989-05-30 US disclosed