SCHEMBL8049894

SCHEMBL8049894

O=S(=O)(O)c1cccc(PCCPc2cccc(S(=O)(=O)O)c2S(=O)(=O)O)c1S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TTR P02766 2/20 0.39
CYP1A2 P05177 2/20 0.33
MYC P01106 1/20 0.33
FABP4 P15090 1/20 0.33
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
MAPK14 Q16539 1/20 0.33
NR4A1 P22736 1/20 0.32
TSHR P16473 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31
CHAT P28329 1/20 0.30
SNCA P37840 1/20 0.30
APEX1 P27695 1/20 0.30

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
SCHEMBL8466278 0.93 TTR (0.37) TTRCYP1A2MYCFABP4CCNA2
SCHEMBL8466459 0.93 TTR (0.37) TTRCYP1A2MYCFABP4CCNA2
SCHEMBL8385234 0.90 TTR (0.35) TTRCYP1A2MYC
SCHEMBL8049976 0.89 TTR (0.39) TTRCYP1A2MYCFABP4CCNA2
SCHEMBL6262273 0.78 TTR (0.40) TTRCYP1A2MYCFABP4CCNA2
SCHEMBL1269675 0.76 TTR (0.52) TTRCYP1A2MYCFABP4CCNA2
SCHEMBL27412158 0.74 MYC (0.35) TTRMYCFABP4CCNA2CDK2
SCHEMBL8818051 0.74 TSHR (0.38) TTRCYP1A2MYCFABP4CCNA2
Hydrochloric Acid SCHEMBL628234 0.74 TTR (0.50) TTRCYP1A2MYCFABP4CCNA2
Hydrochloric Acid SCHEMBL4361194 0.74 TTR (0.50) TTRCYP1A2MYCFABP4CCNA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6020532-A Process for the preparation of aldehydes employing catalyst compositions based on rhodium complexes containing diphosphine ligands HOECHST AKTIENGESELLSCHAFT (DE) 2000-02-01 US disclosed
US-5922634-A HYDROFORMYLATION CATALYST HOECHST AKTIENGESELLSCHAFT (DE) 1999-07-13 US disclosed
US-5847200-A Substituted diphosphines and a process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
EP-0811424-A2 Catalyst systems based on Rhodium complexes with diphosphine ligands and their use for the preparation of aldehydes HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-10 EP disclosed
EP-0807636-A1 Substituted diphosphines and process for their preparation HOECHST AKTIENGESELLSCHAFT (DE) 1997-11-19 EP disclosed