SCHEMBL8226136

SCHEMBL8226136

CC1(C)CC(C(CC(=O)O)(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.CC1(C)CC(C(CCCCCCCC(=O)O)(C(=O)O)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.35
TDP1 Q9NUW8 3/20 0.33
FFAR1 O14842 2/20 0.33
CPT2 P23786 1/20 0.33
EPHX2 P34913 2/20 0.33
ALOX5 P09917 1/20 0.33
TSHR P16473 5/20 0.32
LMNA P02545 1/20 0.32
NFKB1 P19838 1/20 0.32
PMP22 Q01453 1/20 0.32
GPR84 Q9NQS5 7/20 0.32
PPARG P37231 7/20 0.32
PPARD Q03181 7/20 0.32
PPARA Q07869 7/20 0.32
HDAC11 Q96DB2 5/20 0.32
PTPN1 P18031 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TLR2 O60603 2/20 0.32
FABP4 P15090 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
SCHEMBL434149 0.94 GAA (0.38) GAATDP1FFAR1EPHX2TSHR
SCHEMBL9577728 0.94 GAA (0.38) GAATDP1FFAR1EPHX2TSHR
SCHEMBL431527 0.94 GAA (0.38) GAATDP1FFAR1EPHX2TSHR
Sebacic Acid SCHEMBL28872453 0.94 GAA (0.38) GAATDP1FFAR1EPHX2TSHR
SCHEMBL35143 0.94 GAA (0.38) GAATDP1FFAR1EPHX2TSHR
Ammonia Solution, Strong SCHEMBL17080412 0.93 GAA (0.37) GAATDP1FFAR1EPHX2TSHR
Ammonia Solution, Strong SCHEMBL407292 0.93 GAA (0.37) GAATDP1FFAR1EPHX2TSHR
SCHEMBL9577600 0.93 GAA (0.38) GAATDP1FFAR1TSHRLMNA
Citric Acid SCHEMBL988648 0.91 ALDH1A1 (0.38) GAATDP1FFAR1CPT2EPHX2
Citric Acid SCHEMBL988646 0.91 ALDH1A1 (0.38) GAATDP1FFAR1CPT2EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0975421-A2 PREPARATION OF LOW-DUST STABILISERS Ciba SC Holding AG (CH) 2000-02-02 EP disclosed
WO-1998046342-A2 PREPARATION OF LOW-DUST STABILISERS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1998-10-22 WO disclosed