SCHEMBL9577600

SCHEMBL9577600

CC1(C)CC(C(CCCCC(=O)O)(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.34
TSHR P16473 5/20 0.33
NFKB1 P19838 1/20 0.33
PMP22 Q01453 1/20 0.33
AKR1B1 P15121 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GPR84 Q9NQS5 7/20 0.32
PPARG P37231 6/20 0.32
PPARD Q03181 6/20 0.32
PPARA Q07869 6/20 0.32
HDAC11 Q96DB2 5/20 0.32
ALDH1A1 P00352 2/20 0.32
TLR2 O60603 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
FABP4 P15090 2/20 0.32
PTPN1 P18031 2/20 0.32
SLC22A6 Q4U2R8 1/20 0.32

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
SCHEMBL9577728 0.98 GAA (0.38) GAALMNATSHRNFKB1PMP22
SCHEMBL434149 0.98 GAA (0.38) GAALMNATSHRNFKB1PMP22
SCHEMBL431527 0.98 GAA (0.38) GAALMNATSHRNFKB1PMP22
Sebacic Acid SCHEMBL28872453 0.98 GAA (0.38) GAALMNATSHRNFKB1PMP22
SCHEMBL35143 0.98 GAA (0.38) GAALMNATSHRNFKB1PMP22
Ammonia Solution, Strong SCHEMBL407292 0.97 GAA (0.37) GAALMNATSHRNFKB1PMP22
Ammonia Solution, Strong SCHEMBL17080412 0.97 GAA (0.37) GAALMNATSHRNFKB1PMP22
SCHEMBL315238 0.97 GAA (0.38) GAALMNAHTTKMT2AKDM4E
SCHEMBL8226136 0.93 GAA (0.35) GAALMNATSHRNFKB1PMP22
SCHEMBL5955261 0.93 GAA (0.35) GAALMNATSHRNFKB1PMP22

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0304180-B1 Stabilized antimicrobial agents, thermoplastic compositions containing same and products produced therefrom BASF CORP (US) 1993-10-20 EP claimed
EP-0304180-A2 Stabilized antimicrobial agents, thermoplastic compositions containing same and products produced therefrom BASF Corporation (US) 1989-02-22 EP claimed
EP-0304180-B1 Stabilized antimicrobial agents, thermoplastic compositions containing same and products produced therefrom BASF CORP (US) 1993-10-20 EP disclosed
EP-0304180-A2 Stabilized antimicrobial agents, thermoplastic compositions containing same and products produced therefrom BASF Corporation (US) 1989-02-22 EP disclosed
US-4769268-A FREE RADICAL SCAVENGERS COMPRISING INORGANIC SALTS OR PIPERIDINE COMPOUNDS AS STABILIZERS BASF CORPORATION (US) 1988-09-06 US disclosed