SCHEMBL8913237

SCHEMBL8913237

O=C(O)C=C(c1ccccc1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 2/20 0.66
NR4A1 P22736 1/20 0.66
NR4A3 Q92570 1/20 0.66
MAOB P27338 1/20 0.62
PARP10 Q53GL7 1/20 0.62
SRD5A2 P31213 1/20 0.60
PLA2G4B P0C869 1/20 0.57
SMN1; SMN2 Q16637 3/20 0.56
PPARG P37231 2/20 0.56
PPARA Q07869 2/20 0.56
ALDH1A1 P00352 2/20 0.56
HTT P42858 2/20 0.56
RAB9A P51151 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
NPC1 O15118 1/20 0.56
LTB4R Q15722 1/20 0.54
LTB4R2 Q9NPC1 1/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
PTGS1 P23219 1/20 0.54

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
SCHEMBL402300 0.82 SRD5A2 (0.87) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL6539309 0.81 MAOB (0.61) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL4059143 0.80 NR4A2 (1.00) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL6830467 0.80 NR4A2 (1.00) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL3232949 0.80 SRD5A2 (0.90) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL228477 0.80 NR4A2 (1.00) NR4A2NR4A1NR4A3MAOBPARP10
SCHEMBL10386413 0.79 MRGPRX4 (0.56) SMN1; SMN2RAB9ANPC1LMNAHDAC6
SCHEMBL10386412 0.79 MRGPRX4 (0.56) SMN1; SMN2RAB9ANPC1LMNAHDAC6
SCHEMBL11398209 0.79 NR4A2 (0.72) NR4A2NR4A1NR4A3MAOBPARP10
Hydrochloric Acid SCHEMBL8544438 0.78 NR4A2 (0.96) NR4A2NR4A1NR4A3MAOBPARP10

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-5663207-A ADMINISTERING TO INHIBIT DEVELOPMENT OF BREAST TUMOR RESEARCH CORPORATION TECHNOLOGIES (US) 1997-09-02 US disclosed
US-5397802-A Gem-dichlorocyclopropanes as antitumor agents RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-03-14 US disclosed