SCHEMBL9330560

SCHEMBL9330560

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ACLY P53396 1/20 0.34
APEX1 P27695 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ALOX5 P09917 1/20 0.33
PTGS2 P35354 1/20 0.33
NR1I2 O75469 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
RECQL P46063 1/20 0.32
HDAC1 Q13547 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
SCHEMBL4443731 0.86 ALDH1A1 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4451524 0.86 ALDH1A1 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4443601 0.86 ALDH1A1 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4447592 0.86 ALDH1A1 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL10447765 0.85 ACLY (0.33) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL9330485 0.84 MRGPRX4 (0.36) ALDH1A1PTGS2POLBMEN1KMT2A
SCHEMBL4960067 0.82 ALDH1A1 (0.33) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4447601 0.81 ALDH1A1 (0.32) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4446418 0.81 ALDH1A1 (0.32) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4447781 0.79 ALDH1A1 (0.30) ALDH1A1HPGDALOX15HSD17B10TDP1

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 9 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