SCHEMBL674918

SCHEMBL674918

CCCCCCCCCc1ccc([PH](=O)[O-])cc1.CCCCCCCCCc1ccc([PH](=O)[O-])cc1.CCCCCCCCCc1ccc([PH](=O)[O-])cc1.CCCCCCCCCc1ccc([PH](=O)[O-])cc1.CCCCCCCCCc1ccc([PH](=O)[O-])cc1.CCCCCCCCCc1ccc([PH](=O)[O-])cc1.[Mo+6]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.56
CA2 P00918 2/20 0.54
ALDH1A1 P00352 3/20 0.52
ESR1 P03372 2/20 0.52
ADRA2A P08913 2/20 0.52
ADORA3 P0DMS8 2/20 0.52
TACR2 P21452 2/20 0.52
SLC6A2 P23975 2/20 0.52
SLC6A4 P31645 2/20 0.52
SLC6A3 Q01959 2/20 0.52
KDM4E B2RXH2 2/20 0.52
HSD17B10 Q99714 2/20 0.52
LMNA P02545 1/20 0.52
SHBG P04278 1/20 0.52
TP53 P04637 1/20 0.52
CYP3A4 P08684 1/20 0.52
HSPD1 P10809 1/20 0.52
ADRB3 P13945 1/20 0.52
HTR2C P28335 1/20 0.52
HSPE1 P61604 1/20 0.52

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
SCHEMBL150727 0.96 ALDH1A1 (0.52) HTR2ACA2ALDH1A1ESR1ADRA2A
SCHEMBL672280 0.96 ALDH1A1 (0.52) HTR2ACA2ALDH1A1ESR1ADRA2A
SCHEMBL640895 0.96 ALDH1A1 (0.52) HTR2ACA2ALDH1A1ESR1ADRA2A
SCHEMBL2700648 0.80 ALDH1A1 (0.58) HTR2AALDH1A1ESR1ADRA2AADORA3
SCHEMBL11523008 0.80 ALDH1A1 (0.58) HTR2AALDH1A1ESR1ADRA2AADORA3
SCHEMBL12805346 0.79 ALDH1A1 (0.56) HTR2AALDH1A1ESR1ADRA2AADORA3
SCHEMBL12804559 0.79 ALDH1A1 (0.56) HTR2AALDH1A1ESR1ADRA2AADORA3
SCHEMBL866243 0.79 ALDH1A1 (0.56) HTR2AALDH1A1ESR1ADRA2AADORA3
SCHEMBL2702987 0.79 ALDH1A1 (0.56) HTR2AALDH1A1ESR1ADRA2AADORA3
SCHEMBL672943 0.78 HTR2A (0.51) HTR2ACA2ALDH1A1ESR1ADRA2A

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-20120252979-A1 Process for Producing Blends of Syndiotactic, 1,2-Polybutadiene and Rubbery Elastomers RADEMACHER CHRISTINE (US) 2012-10-04 US disclosed
US-8067503-B2 Process for producing blends of syndiotactic, 1,2-polybutadiene and rubbery elastomers BRIDGESTONE CORPORATION (JP) 2011-11-29 US disclosed