SCHEMBL5828909

SCHEMBL5828909

PC(c1ccccc1)(c1ccccc1)c1ccc2ccccc2c1-c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.41
HSD17B10 Q99714 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
DNMT1 P26358 1/20 0.38
ALDH1A1 P00352 5/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPK1 P28482 2/20 0.36
DHFR P00374 1/20 0.36
LMNA P02545 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
PSD A5PKW4 1/20 0.35
WDR5 P61964 1/20 0.35
TYMP P19971 1/20 0.35
TSHR P16473 2/20 0.34

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
SCHEMBL27300614 0.90 HSD17B10 (0.41) HPGDHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL3955070 0.88 HSD17B10 (0.47) HPGDHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL18315347 0.82 GPR84 (0.38) HPGDHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL16384836 0.81 HPGD (0.57) HPGDHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL8053651 0.80 HPGD (0.39) HPGDHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL9861267 0.79 HPGD (0.33) HPGDHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL648242 0.77 HSD17B10 (0.42) HPGDHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL28120414 0.76 HSD11B1 (0.47) HPGDHSD17B10DNMT1ALDH1A1KDM4E
SCHEMBL7776439 0.76 CYP1A2 (0.38) HPGDHSD17B10CYP1A2CYP2D6CYP2C9
SCHEMBL5509954 0.75 KCNJ11 (0.44) HPGDHSD17B10CYP1A2CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-8053482-A None JP disclosed
US-7102034-B2 Process for preparing sulfonated arylphosphines CELANESE CHEMICALS EUROPE GMBH (DE) 2006-09-05 US disclosed
US-5565398-A Sulfonated 2,2'-bis (Diphenylphosphinomethyl)-1,1'-binaphthalenes, process for their preparation and their use in a process for the hydroformylation of olefinically unsaturated compounds HOECHST AKTIENGESELLSCHAFT (DE) 1996-10-15 US disclosed
JP-H0853482-A PALLADIUM CATALYST CONTAINING SULFONATED BISPHOSPHINE AS LIGAND, ITS PREPARATION AND ITS USE IN CARBONYLATION REACTION HOECHST AG 1996-02-27 JP disclosed
US-5481045-A Sulfonated 2,2'-bis (diphenylphosphinomethyl)-1,1'-binaphthalenes, process for their preparation and their use in a process for the hydroformylation of olefinically unsaturated compounds HOECHST AKTIENGESELLSCHAFT (DE) 1996-01-02 US disclosed
US-5347045-A Sulfonated 2,2'-bis (diphenylphosphinomethyl)-1,1'-binaphthalenes, process for their preparation and their use in a process for the hydroformylation of olefinically unsaturated compounds HOECHST AKTIENGESELLSCHAFT (DE) 1994-09-13 US disclosed