SCHEMBL7758980

SCHEMBL7758980

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

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
GFER P55789 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.31
LMNA P02545 1/20 0.30
PPIB P23284 1/20 0.30
PPIA P62937 1/20 0.30
PPID Q08752 1/20 0.30
PPIG Q13427 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
SCHEMBL7755594 0.89 MAPT (0.38) MAPTCYP3A4TSHRLMNA
SCHEMBL7753020 0.83 ALDH1A1 (0.34) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL8641317 0.79 ALDH1A1 (0.39) MAPTGFERALDH1A1CYP3A4TSHR
SCHEMBL7752128 0.76 ALDH1A1 (0.37) MAPTGFERALDH1A1CYP3A4TSHR
SCHEMBL2029434 0.76 ALDH1A1 (0.37) MAPTGFERALDH1A1CYP3A4TSHR
SCHEMBL7755590 0.76 MAPT (0.37) MAPT
SCHEMBL7752991 0.72 POLB (0.31) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL7753011 0.69 GFER (0.33) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL7756409 0.67 ALDH1A1 (0.34) GFERALDH1A1CYP3A4TSHRTDP1
SCHEMBL30279705 0.66 CYP3A4 (0.41) MAPTGFERALDH1A1CYP3A4TSHR

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