SCHEMBL9623150

SCHEMBL9623150

CC#CCC(C)(C)C(=O)CP(=O)(O)O

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ENO1 P06733 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
SCHEMBL9548001 0.80
SCHEMBL9624216 0.78 PTPN7 (0.35) MEN1HPGDBLMKMT2ATDP1
SCHEMBL9624038 0.76 PTPN7 (0.41) MEN1HPGDBLMKMT2ATDP1
SCHEMBL10682474 0.73 LMNA (0.40) MEN1LMNAHPGDTSHRBLM
SCHEMBL10477516 0.70 TSHR (0.35) TSHR
SCHEMBL10683719 0.69 FDPS (0.41) MEN1LMNAHPGDTSHRBLM
SCHEMBL8721557 0.69 LMNA (0.46) MEN1LMNAHPGDTSHRBLM
SCHEMBL9547937 0.69 MEN1 (0.33) MEN1LMNAHPGDTSHRBLM
SCHEMBL9090285 0.69 MEN1 (0.33) MEN1LMNAHPGDTSHRBLM
SCHEMBL10684403 0.68 MEN1 (0.36) MEN1LMNAHPGDTSHRBLM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0274064-B1 2,5,6,7-TETRANOR-18,18,19,19-TETRADEHYDRO-4,8-INTER-M-PHENYLENE PGI2 DERIVATIVES TORAY INDUSTRIES, INC. (JP) 1992-03-18 EP disclosed
US-4880939-A ANTISECRETORY AGENTS, HYPOTENSIVES, ANTICOAGULANTS TORAY INDUSTRIES (JP) 1989-11-14 US disclosed
US-4775692-A ANTILIPEMIC, ANTICOAGULANT, HYPOTENSIVE, ANTISECRETORY AND ANTIULCER AGENT TORAY INDUSTRIES, INC. (JP) 1988-10-04 US disclosed
EP-0274064-A2 2,5,6,7-Tetranor-18,18,19,19-tetradehydro-4,8-inter-m-phenylene PGI2 derivatives TORAY INDUSTRIES, INC. (JP) 1988-07-13 EP disclosed
US-4235930-A INDUCTION OF MENSTRUATION OR ABORTION SCHERING, A.G. (DE) 1980-11-25 US disclosed
US-4191694-A HYPOTENSIVE, ANTISECRETORY, ANTIULCER, ANTIARRHYTHMIA AGENTS; ANTICOAGULANTS, DIURETICS SCHERING AKTIENGESELLSCHAFT (DE) 1980-03-04 US disclosed