SCHEMBL3399592

SCHEMBL3399592

Cc1cc(C)c(N2CCN(c3c(C)cc(C)cc3C)C2=[Ru])c(C)c1.ClP(Cl)(C1CCCCC1)(C1CCCCC1)C1CCCCC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 13/20 0.34
HRH3 Q9Y5N1 3/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
EPHX2 P34913 1/20 0.32
TAS1R3 Q7RTX0 2/20 0.31
TAS1R1 Q7RTX1 2/20 0.31
TAS1R2 Q8TE23 2/20 0.31

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
SCHEMBL16834202 0.79 ALDH1A1 (0.34) CRHR1HRH3ALDH1A1POLBMAPT
SCHEMBL5790127 0.79 ALDH1A1 (0.37) CRHR1HRH3ALDH1A1POLBMAPT
SCHEMBL17459753 0.78 ALDH1A1 (0.33) CRHR1HRH3ALDH1A1POLBMAPT
SCHEMBL23087150 0.66 ALDH1A1 (0.35) CRHR1HRH3ALDH1A1POLBMAPT
SCHEMBL6015185 0.66 ALDH1A1 (0.33) HRH3ALDH1A1POLBMAPTHTT
SCHEMBL4866079 0.65 ALDH1A1 (0.32) ALDH1A1POLBMAPTHTTSMN1; SMN2
SCHEMBL2961477 0.65 ALDH1A1 (0.32) ALDH1A1POLBMAPTHTTSMN1; SMN2
Hydrochloric Acid SCHEMBL6015183 0.65 ALDH1A1 (0.34) CRHR1HRH3ALDH1A1POLBMAPT
SCHEMBL23087149 0.64 HRH3 (0.33) CRHR1HRH3ALDH1A1POLBMAPT
Hydrochloric Acid SCHEMBL2961475 0.64 MAPT (0.36) CRHR1HRH3ALDH1A1POLBMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3428203-B1 HYDROCARBON POLYMERS WITH ALKOXYSILANE TERMINAL GROUP BOSTIK SA (FR) 2022-04-27 EP disclosed
EP-3523286-B1 NOVEL HYDROCARBON POLYMERS HAVING EXO-VINYLENE CYCLIC CARBONATE TERMINAL GROUPS BOSTIK SA (FR) 2021-02-24 EP disclosed
EP-3404047-B1 HYDROCARBON POLYMERS WITH TWO ALKOXYSILANE END GROUPS BOSTIK SA (FR) 2020-12-02 EP disclosed
EP-3428203-A1 HYDROCARBON POLYMERS WITH ALKOXYSILANE TERMINAL GROUP Bostik SA (FR) 2019-01-16 EP disclosed
EP-3404047-A1 HYDROCARBON POLYMERS WITH TWO ALKOXYSILANE END GROUPS Bostik SA (FR) 2018-11-21 EP disclosed
EP-3024856-B1 HYDROCARBON POLYMERS HAVING AN ALKOXYSILANE END GROUP BOSTIK SA (FR) 2018-08-29 EP disclosed
EP-3024854-B1 HYDROCARBON POLYMERS WITH TWO ALKOXYSILANE END GROUPS BOSTIK SA (FR) 2018-07-11 EP disclosed
EP-3284766-A1 NOVEL HYDROCARBON POLYMERS WITH DITHIOCYCLOCARBONATE END GROUPS BOSTIK SA (FR) 2018-02-21 EP disclosed
EP-3272783-A1 HYDROCARBON POLYMERS WITH TWO AZLACTONE END GROUPS BOSTIK SA (FR) 2018-01-24 EP disclosed
EP-2931760-B1 HYDROCARBON-BASED POLYMERS COMPRISING TWO END GROUPS WITH 2-OXO-1,3-DIOXOLAN-4-YL ENDINGS, PREPARATION THEREOF AND USE THEREOF BOSTIK SA (FR) 2016-09-28 EP disclosed
EP-1814854-B1 CATIONIC CERAMIDES, AND ANALOGS THEREOF, AND THEIR USE FOR PREVENTING OR TREATING CANCER MUSC FOUND FOR RES DEV (US) 2015-02-25 EP disclosed
EP-2684861-A2 Spiro compounds and pharmaceutical use thereof Japan Tobacco Inc. (JP) 2014-01-15 EP disclosed
EP-2508503-A1 Spiro compounds and pharmaceutical use thereof Japan Tobacco, Inc. (JP) 2012-10-10 EP disclosed
EP-2202216-B1 SPIRO-RING COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES JAPAN TOBACCO INC (JP) 2012-06-27 EP disclosed
EP-2202216-A1 SPIRO-RING COMPOUND AND USE THEREOF FOR MEDICAL PURPOSES Japan Tobacco Inc. (JP) 2010-06-30 EP disclosed