SCHEMBL7755748

SCHEMBL7755748

CC1COP(=O)(Cc2ccc([N+](=O)[O-])cc2)OC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
TSHR P16473 1/20 0.39
KCNJ1 P48048 4/20 0.39
KCNH2 Q12809 3/20 0.39
ALDH1A1 P00352 3/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
RAB9A P51151 1/20 0.38
IDO1 P14902 2/20 0.38
CYP2C19 P33261 1/20 0.37
POLB P06746 1/20 0.37
RECQL P46063 1/20 0.37
ACHE P22303 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL7755756 0.85 TSHR (0.42) LOXL2HRH3TSHRKCNJ1KCNH2
SCHEMBL8641571 0.83 LOXL2 (0.47) LOXL2HRH3TSHRKCNJ1KCNH2
SCHEMBL7757176 0.81 LOXL2 (0.42) LOXL2HRH3TSHRKCNJ1KCNH2
SCHEMBL2031931 0.80 LOXL2 (0.44) LOXL2HRH3TSHRKCNJ1KCNH2
SCHEMBL7756470 0.80 LOXL2 (0.44) LOXL2HRH3TSHRKCNJ1KCNH2
SCHEMBL7755738 0.79 LOXL2 (0.41) LOXL2HRH3TSHRKCNJ1KCNH2
SCHEMBL7753025 0.77 LOXL2 (0.39) LOXL2HRH3TSHRKCNJ1KCNH2
SCHEMBL7756435 0.77 LOXL2 (0.39) LOXL2HRH3TSHRKCNJ1KCNH2
SCHEMBL8641578 0.72 TSHR (0.47) LOXL2HRH3TSHRKCNJ1KCNH2
SCHEMBL7757180 0.72 TSHR (0.44) LOXL2TSHRKCNJ1KCNH2ALDH1A1

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-0769015-B1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2001-03-14 EP disclosed
EP-0625522-B1 Benzopyran derivatives and their use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-08-19 EP disclosed
US-5741784-A ADMINISTERING TO TREAT METABOLIC BONE DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-04-21 US disclosed
US-5716944-A USEFUL AS PROPHYLACTIC AND THERAPEUTIC AGENTS OF VARIOUS METABOLIC BONE DISEASES SUCH AS OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-02-10 US disclosed
EP-0769015-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1997-04-23 EP disclosed
US-5580863-A TREATMENT OF OSTEOPOROSIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-12-03 US disclosed
WO-1996001267-A1 PHOSPHONIC ACID COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-01-18 WO disclosed
EP-0625522-A1 Benzopyran derivatives and their use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-11-23 EP disclosed