SCHEMBL9933002

SCHEMBL9933002

[Li]CCCC(Cc1ccccc1)c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.53
ALDH1A1 P00352 1/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
EPHX1 P07099 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1A P08908 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CNR1 P21554 1/20 0.39
HTR2A P28223 1/20 0.39
MC4R P32245 1/20 0.39

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
SCHEMBL3119171 0.81 CYP19A1 (0.53) CYP19A1ALDH1A1MTNR1AMTNR1BMEN1
SCHEMBL4773619 0.81 CYP19A1 (0.53) CYP19A1ALDH1A1MTNR1AMTNR1BMEN1
SCHEMBL9819816 0.81 HRH1 (0.59) CYP19A1ALDH1A1MTNR1AMTNR1BMEN1
SCHEMBL9819796 0.79 ALDH1A1 (0.55) CYP19A1ALDH1A1MTNR1AMTNR1BMEN1
SCHEMBL8101938 0.79 CSNK1E (0.53) CYP19A1ALDH1A1MTNR1AMTNR1BMEN1
SCHEMBL146771 0.79 MTNR1A (0.55) CYP19A1ALDH1A1MTNR1AMTNR1BSLC6A2
SCHEMBL8101522 0.78 CSNK1E (0.55) CYP19A1ALDH1A1MTNR1AMTNR1BHTR2A
SCHEMBL8086957 0.78 CSNK1E (0.55) CYP19A1ALDH1A1MTNR1AMTNR1BHTR2A
SCHEMBL5271972 0.78 CSNK1E (0.55) CYP19A1ALDH1A1MTNR1AMTNR1BHTR2A
SCHEMBL8099239 0.78 CSNK1E (0.55) CYP19A1ALDH1A1MTNR1AMTNR1BHTR2A

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-20120157633-A1 PROCESS FOR MAKING A SATURATED DENDRITIC HYDROCARBON POLYMER EXXONMOBIL RESEARCH AND ENGINEERING COMPANY (US) 2012-06-21 US claimed