SCHEMBL9328465

SCHEMBL9328465

Cc1cc(C(C)c2ccccc2)c(OP(O)Cl)c(C(C)c2cc(C)cc(C(C)c3ccccc3)c2OP(O)Cl)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 1/20 0.40
TACR1 P25103 5/20 0.35
GAA P10253 1/20 0.33
TSHR P16473 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33
SLC6A4 P31645 3/20 0.32
LMNA P02545 2/20 0.32
PTGS1 P23219 2/20 0.32
ESR1 P03372 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
MAPT P10636 1/20 0.32
CHRM1 P11229 1/20 0.32
KCNE1 P15382 1/20 0.32
CHRM3 P20309 1/20 0.32
HRH2 P25021 1/20 0.32
HTR2A P28223 1/20 0.32

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
SCHEMBL10442706 0.81 TYR (0.39) TYRGAANPSR1SLC6A4LMNA
SCHEMBL11422856 0.75 TYR (0.44) TYRTACR1GAATSHRHTT
SCHEMBL15625201 0.74 TYR (0.53) TYRGAATSHRHTTNPSR1
SCHEMBL9328476 0.72 TYR (0.36) TYRGAAHTTNPSR1SLC6A4
SCHEMBL224197 0.72 TYR (0.55) TYRGAATSHRHTTNPSR1
SCHEMBL10442707 0.70 TYR (0.37) TYRGAANPSR1SLC6A4LMNA
SCHEMBL7952152 0.70 TYR (0.37) TYRGAAHTTNPSR1SLC6A4
SCHEMBL7952148 0.70 TYR (0.39) TYRTACR1GAASLC6A4LMNA
SCHEMBL9885964 0.69 TYR (0.51) TYRGAATSHRHTTNPSR1
SCHEMBL17036057 0.69 TYR (0.37) TYRTACR1GAATSHRHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0357048-B1 Process for transhalogenating a halophosphorus compound with hydrogen fluoride ALBEMARLE CORP (US) 1994-09-28 EP disclosed
EP-0358985-B1 Method of transhalogenating a halophosphorus compound with fluoride ETHYL CORP (US) 1994-03-16 EP disclosed
EP-0312790-B1 Process for transhalogenating a halophosphorus compound with fluoride ETHYL CORP (US) 1993-11-18 EP disclosed
US-5136075-A Process for transhalogenating a halophosphorus compound with fluoride ETHYL CORPORATION (US) 1992-08-04 US disclosed
US-5061818-A Fluorination with metal or ammonium fluoride in presence of pyridine halide salt ETHYL CORPORATION (US) 1991-10-29 US disclosed
US-5049691-A Process for transhalogenating a halophosphorous compound with anhydrous hydrogen fluoride ETHYL CORPORATION (US) 1991-09-17 US disclosed
US-4929745-A Transhalogenation of halophosphorus compounds EHTYL CORPORATION (US) 1990-05-29 US disclosed
US-4910324-A Using a metal or ammonium fluoride ETHYL CORPORATION (US) 1990-03-20 US disclosed
EP-0357048-A2 Process for transhalogenating a halophosphorus compound with hydrogen fluoride ALBEMARLE CORPORATION (US) 1990-03-07 EP disclosed
EP-0312790-A2 Process for transhalogenating a halophosphorus compound with fluoride ETHYL CORPORATION (US) 1989-04-26 EP disclosed