SCHEMBL9720532

SCHEMBL9720532

CCC(=O)c1cc(C)c(OC)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
PPARA Q07869 3/20 0.53
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
KDM4E B2RXH2 2/20 0.47
TAS1R3 Q7RTX0 1/20 0.45
TAS1R1 Q7RTX1 1/20 0.45
CYP2C19 P33261 1/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
PPARG P37231 2/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42

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
SCHEMBL9720564 0.88 ALDH1A1 (0.50) ALDH1A1PPARAMEN1KMT2AKDM4E
SCHEMBL16502263 0.85 ALDH1A1 (0.46) ALDH1A1PPARAMEN1KMT2AKDM4E
SCHEMBL10604070 0.85 THRA (0.50) ALDH1A1PPARAMEN1KMT2AKDM4E
SCHEMBL27916624 0.81 PPARA (0.51) ALDH1A1PPARAMEN1KMT2AKDM4E
SCHEMBL6808598 0.81 PPARA (0.50) ALDH1A1PPARAMEN1KMT2AKDM4E
SCHEMBL4730730 0.81 ALDH1A1 (0.57) ALDH1A1PPARAMEN1KMT2AKDM4E
SCHEMBL9861846 0.81 ALDH1A1 (0.53) ALDH1A1MEN1KMT2ATAS1R3TAS1R1
SCHEMBL10605850 0.80 THRA (0.57) ALDH1A1MEN1KMT2AGAAL3MBTL1
SCHEMBL27916625 0.80 THRA (0.50) ALDH1A1PPARAMEN1KMT2AKDM4E
SCHEMBL10603556 0.80 PPARA (0.47) ALDH1A1PPARAMEN1KMT2AKDM4E

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
US-5103022-A Reacting dl-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino -1-propanone with l-acetylphenylglycine to form corresponding diastereomeric salt, deposition, isolation of l-2-methyl-1-(4-trifluoromethylphenyl)-3-pyrrolidino-1-propanone NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1992-04-07 US disclosed
US-5057535-A Muscle relaxants NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1991-10-15 US disclosed
EP-0173279-B1 2-(3,5-DIALKYL-4-HYDROXYPHENYL)INDOLE DERIVATIVES TEIKOKU HORMONE MFG. CO., LTD. (JP) 1989-08-23 EP disclosed
US-4695581-A LIPOXYGENASE INHIBITOR TEIKOKU HORMONE MFG. CO., LTD. (JP) 1987-09-22 US disclosed
EP-0200942-A2 New derivatives of an aminoketone NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1986-11-12 EP disclosed
EP-0173279-A1 2-(3,5-Dialkyl-4-hydroxyphenyl)indole derivatives TEIKOKU HORMONE MFG. CO., LTD. (JP) 1986-03-05 EP disclosed