SCHEMBL9328504

SCHEMBL9328504

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 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
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
TRPV1 Q8NER1 1/20 0.32
MEN1 O00255 1/20 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
KMT2A Q03164 1/20 0.32
APEX1 P27695 1/20 0.31
NPC1 O15118 1/20 0.30
PLA2G1B P04054 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
SCHEMBL9278616 0.87 ALDH1A1 (0.36) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL30967276 0.87 ALDH1A1 (0.36) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL7736385 0.86 ALDH1A1 (0.35) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL4440724 0.84 ALDH1A1 (0.34) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL9329822 0.84 ALDH1A1 (0.35) ALDH1A1
SCHEMBL10334924 0.83 ALDH1A1 (0.33) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL10583887 0.82 ALDH1A1 (0.33) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL7943128 0.74 ALDH1A1 (0.45) ALDH1A1HPGDALOX15HSD17B10TDP1
SCHEMBL6432909 0.74 THRA (0.33) CYP2C19CYP1A2CYP3A4CYP2C9TSHR
SCHEMBL1531367 0.74 THRA (0.33) CYP2C19CYP1A2CYP3A4CYP2C9TSHR

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