SCHEMBL7753019

SCHEMBL7753019

O=[N+]([O-])c1ccc(C[P]2(O)OCCCO2)cc1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
ALDH1A1 P00352 2/20 0.43
KCNJ1 P48048 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CYP2C19 P33261 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
CYP1A2 P05177 1/20 0.41
KCNH2 Q12809 1/20 0.41
KDM4E B2RXH2 1/20 0.40
IDO1 P14902 3/20 0.40
AKR1C3 P42330 1/20 0.40
POLB P06746 1/20 0.39
ACHE P22303 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL7756479 0.97 TSHR (0.45) TSHRALDH1A1KCNJ1LOXL2LMNA
SCHEMBL8641578 0.94 TSHR (0.47) TSHRALDH1A1KCNJ1LOXL2LMNA
SCHEMBL7757180 0.83 TSHR (0.44) TSHRALDH1A1KCNJ1LOXL2LMNA
SCHEMBL2031931 0.83 LOXL2 (0.44) TSHRALDH1A1KCNJ1LOXL2LMNA
SCHEMBL7755756 0.82 TSHR (0.42) TSHRALDH1A1KCNJ1LOXL2LMNA
SCHEMBL7753030 0.80 TSHR (0.41) TSHRALDH1A1KCNJ1LOXL2LMNA
SCHEMBL7756447 0.80 TSHR (0.41) TSHRALDH1A1KCNJ1LOXL2LMNA
SCHEMBL7756470 0.79 LOXL2 (0.44) TSHRALDH1A1KCNJ1LOXL2LMNA
SCHEMBL8664526 0.78 NR3C1 (0.39) TSHRALDH1A1KCNJ1LOXL2LMNA
SCHEMBL7755744 0.76 TSHR (0.42) TSHRALDH1A1KCNJ1LOXL2LMNA

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