SCHEMBL7861665

SCHEMBL7861665

CC(C)(Cc1cccnc1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
FDPS P14324 5/20 0.59
NAPRT Q6XQN6 1/20 0.56
CYP1A2 P05177 2/20 0.54
CYP3A4 P08684 2/20 0.54
CYP2C9 P11712 2/20 0.54
CYP2C19 P33261 1/20 0.54
HIF1A Q16665 1/20 0.54
BTN3A1 O00481 1/20 0.53
PDE3A Q14432 1/20 0.53
RIPK1 Q13546 1/20 0.52
TBXAS1 P24557 6/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
MAPT P10636 1/20 0.48
HTT P42858 1/20 0.48

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
SCHEMBL28245984 0.98 FDPS (0.57) FDPSNAPRTCYP1A2CYP3A4CYP2C9
Hydrochloric Acid SCHEMBL8504424 0.98 FDPS (0.57) FDPSNAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL8505453 0.92 FDPS (0.52) FDPSNAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL11068494 0.89 TBXAS1 (0.58) FDPSNAPRTRIPK1TBXAS1
Hydrochloric Acid SCHEMBL11066261 0.88 TBXAS1 (0.59) FDPSNAPRTRIPK1TBXAS1
SCHEMBL27457037 0.86 CYP1A2 (0.54) FDPSNAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL25260235 0.83 FDPS (0.56) FDPSNAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL30969130 0.83 FDPS (0.56) FDPSNAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL8506198 0.83 FDPS (0.55) FDPSNAPRTCYP1A2CYP3A4CYP2C9
SCHEMBL25260237 0.83 FDPS (0.56) FDPSNAPRTCYP1A2CYP3A4CYP2C9

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0730598-B1 HINDERED ESTERS OF RAPAMYCIN AND THEIR USE AS PHARMACEUTICALS AMERICAN HOME PROD (US) 1999-06-09 EP claimed
EP-0730598-A1 HINDERED ESTERS OF RAPAMYCIN AND THEIR USE AS PHARMACEUTICALS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-11 EP claimed
WO-1995014696-A1 HINDERED ESTERS OF RAPAMYCIN AND THEIR USE AS PHARMACEUTICALS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-06-01 WO claimed
US-5385908-A Hindered esters of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1995-01-31 US claimed
CN-110790809-B Preparation method of abiraterone acetate 奥锐特药业股份有限公司 2021-04-02 CN disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
US-20170152443-A1 LIQUID CRYSTAL ALIGNMENT AGENT, LIQUID CRYSTAL ALIGNMENT FILM, AND LIQUID CRYSTAL DISPLAY ELEMENT CHI MEI CORPORATION (TW) 2017-06-01 US disclosed
CN-103429598-A Organozinc complexes and methods of making and using the same UNIV MUENCHEN L MAXIMILIANS 2013-12-04 CN disclosed
EP-0794955-B1 HINDERED N-OXIDE ESTERS OF RAPAMYCIN AND THEIR USE AS MEDICAMENTS AMERICAN HOME PROD (US) 2001-07-25 EP disclosed
EP-0730598-B1 HINDERED ESTERS OF RAPAMYCIN AND THEIR USE AS PHARMACEUTICALS AMERICAN HOME PROD (US) 1999-06-09 EP disclosed
EP-0794955-A1 HINDERED N-OXIDE ESTERS OF RAPAMYCIN AND THEIR USE AS MEDICAMENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1997-09-17 EP disclosed
US-5559122-A Hindered N-oxide esters of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-24 US disclosed
EP-0730598-A1 HINDERED ESTERS OF RAPAMYCIN AND THEIR USE AS PHARMACEUTICALS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-09-11 EP disclosed
WO-1996016967-A1 HINDERED N-OXIDE ESTERS OF RAPAMYCIN AND THEIR USE AS MEDICAMENTS AMERICAN HOME PRODUCTS CORPORATION (US) 1996-06-06 WO disclosed
US-5521194-A Hindered N-oxide esters of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1996-05-28 US disclosed
US-5508285-A Hindered N-oxide esters of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-16 US disclosed
US-5508290-A Hindered N-oxide esters of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1996-04-16 US disclosed
US-5491231-A Hindered N-oxide esters of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1996-02-13 US disclosed
WO-1995014696-A1 HINDERED ESTERS OF RAPAMYCIN AND THEIR USE AS PHARMACEUTICALS AMERICAN HOME PRODUCTS CORPORATION (US) 1995-06-01 WO disclosed
US-5385908-A Hindered esters of rapamycin AMERICAN HOME PRODUCTS CORPORATION (US) 1995-01-31 US disclosed