SCHEMBL7758979

SCHEMBL7758979

CCC1(CC)COP(=O)(Cc2ccc(N)cc2)OC1

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.33
CYP19A1 P11511 3/20 0.32
CYP3A4 P08684 3/20 0.31
GFER P55789 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP17A1 P05093 1/20 0.31
CYP11A1 P05108 1/20 0.31
TBXAS1 P24557 1/20 0.31
PMP22 Q01453 1/20 0.31
PDE4D Q08499 1/20 0.31
PDE3A Q14432 1/20 0.31
NFKB1 P19838 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.31

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
SCHEMBL7755590 0.89 MAPT (0.37) MAPTCYP19A1
SCHEMBL7752991 0.86 POLB (0.31) CYP19A1CYP3A4GFERALDH1A1TSHR
SCHEMBL7758980 0.86 MAPT (0.33) MAPTCYP3A4GFERALDH1A1TSHR
SCHEMBL7753011 0.84 GFER (0.33) CYP3A4GFERALDH1A1TSHRTDP1
SCHEMBL8641309 0.78 ALDH1A1 (0.39) MAPTCYP19A1CYP3A4GFERALDH1A1
SCHEMBL7755594 0.76 MAPT (0.38) MAPTCYP19A1CYP3A4TSHRPDE4D
SCHEMBL7752127 0.75 ALDH1A1 (0.37) CYP3A4GFERALDH1A1TSHRTDP1
SCHEMBL2029431 0.75 ALDH1A1 (0.37) CYP3A4GFERALDH1A1TSHRTDP1
SCHEMBL7759002 0.74 ALDH1A1 (0.33) CYP19A1CYP3A4GFERALDH1A1TSHR
SCHEMBL7752998 0.72 GFER (0.31) CYP3A4GFERALDH1A1TSHRTDP1

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