SCHEMBL514092

SCHEMBL514092

CCCCCCCCCCCCP(CCCC)(CCCC)(CCCC)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.46
ALDH1A1 P00352 7/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP2C9 P11712 3/20 0.39
CYP2C19 P33261 2/20 0.39
CYP3A4 P08684 1/20 0.39
VDR P11473 1/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
ALB P02768 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
CNR2 P34972 1/20 0.37
PLA2G2C Q5R387 1/20 0.37
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
HTT P42858 1/20 0.36
KCNH2 Q12809 1/20 0.36
HIF1A Q16665 1/20 0.36
G6PD P11413 1/20 0.36
CA12 O43570 1/20 0.35

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
SCHEMBL524732 1.00 MCHR1 (0.46) MCHR1ALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL305722 0.95 SMN1; SMN2 (0.42) MCHR1ALDH1A1SMN1; SMN2CYP2C9CYP2C19
Hexadecylamine SCHEMBL7554404 0.92 MCHR1 (0.42) MCHR1ALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL8725762 0.91 MCHR1 (0.42) MCHR1ALDH1A1SMN1; SMN2CYP2C9CYP2C19
SCHEMBL14840202 0.86 MCHR1 (0.47) MCHR1ALDH1A1SMN1; SMN2CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL10968741 0.85 TDP1 (0.41) ALDH1A1TSHRTDP1CA12CA2
SCHEMBL4456402 0.84 TDP1 (0.42) ALDH1A1TSHRTDP1CA12CA2
SCHEMBL4459094 0.84 TDP1 (0.42) ALDH1A1TSHRTDP1CA12CA2
SCHEMBL4607771 0.84 CA2 (0.54) ALDH1A1SMN1; SMN2CYP3A4LMNAHTT
SCHEMBL306553 0.81 SMN1; SMN2 (0.41) MCHR1ALDH1A1SMN1; SMN2CYP2C9CYP2C19

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-4496643-A PHOSPHONIUM, ARSONIUM, OR STIBONIUM COMPOUND IN BINDER AS TONER AND FLUOROCARBON CARRIER COATED PARTICLES EASTMAN KODAK COMPANY (US) 1985-01-29 US claimed
US-8747701-B2 Electroconductive rubber composition for electrophotographic apparatuses and charging roller for use in electrophotographic apparatuses manufactured using the same TOKAI RUBBER INDUSTRIES, LTD. (JP) 2014-06-10 US disclosed
US-20120025143-A1 ELECTROCONDUCTIVE RUBBER COMPOSITION FOR ELECTROPHOTOGRAPHIC APPARATUSES AND CHARGING ROLLER FOR USE IN ELECTROPHOTOGRAPHIC APPARATUSES MANUFACTURED USING THE SAME TOKAI RUBBER INDUSTRIES, LTD. (JP) 2012-02-02 US disclosed
US-5021473-A With mixture of polymer(s) and catonic compound HOECHST AKTIENGESELLSCHAFT (DE) 1991-06-04 US disclosed
EP-0161128-A1 Two-component dry electrostatic developer composition EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1985-11-13 EP disclosed