SCHEMBL7753030

SCHEMBL7753030

CCC1(CC)CO[P](O)(Cc2ccc([N+](=O)[O-])cc2)OC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP2C19 P33261 2/20 0.39
MAPT P10636 3/20 0.38
ATM Q13315 1/20 0.38
CYP1A2 P05177 1/20 0.38
KCNJ1 P48048 2/20 0.37
KCNH2 Q12809 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
IDO1 P14902 2/20 0.36
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
AR P10275 1/20 0.36
AKR1C3 P42330 1/20 0.36
POLB P06746 1/20 0.36

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
SCHEMBL7756415 0.90 MAPT (0.42) TSHRALDH1A1CYP2C19MAPTKCNJ1
SCHEMBL7753025 0.89 LOXL2 (0.39) TSHRLOXL2ALDH1A1CYP2C19MAPT
SCHEMBL7756447 0.89 TSHR (0.41) TSHRLOXL2ALDH1A1CYP2C19MAPT
SCHEMBL7757180 0.87 TSHR (0.44) TSHRLOXL2ALDH1A1CYP2C19MAPT
SCHEMBL8641578 0.82 TSHR (0.47) TSHRLOXL2ALDH1A1CYP2C19MAPT
SCHEMBL7756406 0.80 MAPT (0.42) LOXL2ALDH1A1CYP2C19MAPTKCNJ1
SCHEMBL7753019 0.80 TSHR (0.45) TSHRLOXL2ALDH1A1CYP2C19MAPT
SCHEMBL7756479 0.80 TSHR (0.45) TSHRLOXL2ALDH1A1CYP2C19MAPT
SCHEMBL7756435 0.78 LOXL2 (0.39) TSHRLOXL2ALDH1A1CYP2C19MAPT
SCHEMBL7755756 0.77 TSHR (0.42) TSHRLOXL2ALDH1A1CYP2C19MAPT

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