SCHEMBL29794202

SCHEMBL29794202

CC(C)CCC(=O)CCC(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 10/20 0.51
▸ REN P00797 3/20 0.51
▸ RAB9A P51151 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.46
▸ F2 P00734 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ LTA4H P09960 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ PEPD P12955 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ PTGS1 P23219 1/20 0.46
▸ HTR2A P28223 1/20 0.46
▸ PTGS2 P35354 1/20 0.46
▸ HRH1 P35367 1/20 0.46
▸ THPO P40225 1/20 0.46
▸ PMP22 Q01453 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46
▸ ACE2 Q9BYF1 1/20 0.46
▸ XPNPEP2 O43895 1/20 0.45

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
SCHEMBL871820 0.86 ACE (0.61) ACERENRAB9AKDM4EF2
SCHEMBL25284485 0.81 ACE (0.59) ACEREN
SCHEMBL5654346 0.79 ACE (0.56) ACERENRAB9AKDM4EF2
SCHEMBL6782705 0.78 ACE (0.72) ACEREN
SCHEMBL6782701 0.78 ACE (0.72) ACEREN
SCHEMBL31265372 0.76 ACE (0.57) ACE
SCHEMBL11562059 0.76 ACE (0.64) ACERENRAB9AKDM4EF2
SCHEMBL26724818 0.75 ACE (0.47) ACERENRAB9AKDM4EF2
SCHEMBL17378268 0.75 ACE (0.47) ACERENRAB9AKDM4EF2
SCHEMBL16781382 0.75 ACE (0.53) ACERENACE2

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-20230257698-A1 FETAL TROPHOBLAST COMPOSITIONS AND METHODS NEXTGEN JANE, INC. 2023-08-17 — — US disclosed
EP-4179117-A1 FETAL TROPHOBLAST COMPOSITIONS AND METHODS NextGen Jane, Inc. (US) 2023-05-17 — — EP disclosed
US-20230017064-A1 METHODS FOR THE CHARACTERIZATION OF FLUID NEXTGEN JANE, INC. 2023-01-19 — — US disclosed
US-20220396836-A1 METHODS AND SYSTEMS FOR MENSTRUALOME ANALYSIS NEXTGEN JANE, INC. 2022-12-15 — — US disclosed
EP-4051127-A1 METHODS AND SYSTEMS FOR MENSTRUALOME ANALYSIS NextGen Jane, Inc. (US) 2022-09-07 — — EP disclosed
EP-4051109-A1 METHODS FOR THE CHARACTERIZATION OF FLUID NextGen Jane, Inc. (US) 2022-09-07 — — EP disclosed
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