SCHEMBL9328498

SCHEMBL9328498

CC(C)(C)c1cc(Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2OP(O)Cl)c(OP(O)Cl)c(C(C)(C)C)c1

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
XBP1 P17861 1/20 0.34
MAPK1 P28482 1/20 0.34
HTT P42858 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
CYP2C19 P33261 3/20 0.33
HSPA5 P11021 2/20 0.33
CYP2C9 P11712 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HIF1A Q16665 1/20 0.33
RXRA P19793 2/20 0.31
PPARG P37231 2/20 0.31
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
TSHR P16473 1/20 0.30
RARG P13631 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
SCHEMBL9278608 0.87 CYP2C19 (0.35) ALDH1A1GAAXBP1MAPK1HTT
SCHEMBL4440718 0.84 CYP2C19 (0.33) ALDH1A1GAAXBP1MAPK1HTT
SCHEMBL9329816 0.84 HSPA5 (0.51) ALDH1A1CYP2C19HSPA5CYP2C9SMN1; SMN2
SCHEMBL29130830 0.82 POLB (0.34) ALDH1A1CYP2C19CYP2C9SMN1; SMN2RXRA
SCHEMBL7147241 0.82 HSP90AA1 (0.36) RXRAPPARGRARG
SCHEMBL7645310 0.81 RXRA (0.36) CYP2C19HSPA5CYP2C9SMN1; SMN2HIF1A
SCHEMBL9328172 0.77 CYP1A2 (0.35) CYP2C19CYP2C9RXRAPPARGCYP1A2
SCHEMBL27567436 0.76 NR5A2 (0.37) ALDH1A1GAAXBP1MAPK1HTT
SCHEMBL7651050 0.75 CYP2C19 (0.33) ALDH1A1GAAXBP1MAPK1HTT
SCHEMBL27585599 0.75 CYP2C19 (0.33) ALDH1A1GAAXBP1MAPK1HTT

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 8 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