SCHEMBL9328182

SCHEMBL9328182

CC(C)(C)c1ccc(C(C)(OP(O)Cl)c2ccc(C(C)(C)C)cc2C(C)(C)C)c(C(C)(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPT P10636 2/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
ACLY P53396 1/20 0.33
APEX1 P27695 1/20 0.32
CYP2C19 P33261 1/20 0.32
ACHE P22303 1/20 0.32
LMNA P02545 1/20 0.31
TYR P14679 1/20 0.31
NR1I2 O75469 1/20 0.31
NPC1 O15118 1/20 0.30
MAPK1 P28482 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
SCHEMBL8390717 0.86 ALDH1A1 (0.38) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL9328289 0.83 SMN1; SMN2 (0.37) ALDH1A1MAPTCYP2C19TYR
SCHEMBL187989 0.83 ALDH1A1 (0.36) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL6400018 0.82 ALDH1A1 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL2318110 0.79 ALDH1A1 (0.34) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL9351787 0.79 ESR1 (0.31) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL9347144 0.75 APEX1 (0.40) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL779415 0.73 ALDH1A1 (0.48) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL29630132 0.73 ALDH1A1 (0.48) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL13571746 0.73 THRA (0.34) ALDH1A1MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0312915-A2 Process for making cyclic aryl chlorophosphites ETHYL CORPORATION (US) 1989-04-26 EP claimed
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-5008417-A Haloalkylation process ETHYL CORPORATION (US) 1991-04-16 US disclosed
US-4958034-A DISCOLORATION INHIBITION; REACTION OF OLEFIN AND MALEIC ANHYDRIDE IN ARYLFLUOROPHOSPHITE PRESENCE ETHYL CORPORATION (US) 1990-09-18 US disclosed
US-4929745-A Transhalogenation of halophosphorus compounds EHTYL CORPORATION (US) 1990-05-29 US disclosed
EP-0358985-A1 Method of transhalogenating a halophosphorus compound with fluoride ETHYL CORPORATION (US) 1990-03-21 EP 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-0353598-A2 Transhalogenation of halophosphorus compounds ETHYL CORPORATION (US) 1990-02-07 EP disclosed
US-4894481-A PHOSPHOROUS TRICHLORIDE AND BISPHENOL ETHYL CORPORATION (US) 1990-01-16 US disclosed
EP-0312790-A2 Process for transhalogenating a halophosphorus compound with fluoride ETHYL CORPORATION (US) 1989-04-26 EP disclosed