SCHEMBL7757176

SCHEMBL7757176

CC1(C)COP(=O)(Cc2ccc([N+](=O)[O-])cc2)OC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.42
TSHR P16473 1/20 0.40
KCNJ1 P48048 2/20 0.40
KCNH2 Q12809 1/20 0.40
ALDH1A1 P00352 2/20 0.39
LMNA P02545 2/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
IDO1 P14902 2/20 0.39
CYP2C19 P33261 3/20 0.38
POLB P06746 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ACHE P22303 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
KDM4E B2RXH2 1/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 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
SCHEMBL7757180 0.88 TSHR (0.44) LOXL2TSHRKCNJ1KCNH2ALDH1A1
SCHEMBL7756435 0.87 LOXL2 (0.39) LOXL2TSHRKCNJ1KCNH2ALDH1A1
SCHEMBL7753025 0.87 LOXL2 (0.39) LOXL2TSHRKCNJ1KCNH2ALDH1A1
SCHEMBL8641571 0.84 LOXL2 (0.47) LOXL2TSHRKCNJ1KCNH2ALDH1A1
SCHEMBL2031931 0.81 LOXL2 (0.44) LOXL2TSHRKCNJ1KCNH2ALDH1A1
SCHEMBL7756470 0.81 LOXL2 (0.44) LOXL2TSHRKCNJ1KCNH2ALDH1A1
SCHEMBL7755748 0.81 LOXL2 (0.41) LOXL2TSHRKCNJ1KCNH2ALDH1A1
SCHEMBL7756406 0.81 MAPT (0.42) LOXL2KCNJ1KCNH2ALDH1A1LMNA
SCHEMBL2031381 0.76 HSD17B10 (0.41) LOXL2TSHRALDH1A1LMNAMAPT
SCHEMBL2210054 0.76 ALDH1A1 (0.43) TSHRALDH1A1LMNAMAPTSMN1; SMN2

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