SCHEMBL987164

SCHEMBL987164

CC1(C)CCCC(C)(C)N1OC(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
TSHR P16473 3/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
NFKB1 P19838 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
PMP22 Q01453 1/20 0.33
HIF1A Q16665 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
SLC13A5 Q86YT5 4/20 0.32
CYP2C19 P33261 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
SCHEMBL7038092 0.83 ALDH1A1 (0.42) ALDH1A1TSHRKDM4ELMNAMAPT
SCHEMBL1232056 0.83 ALDH1A1 (0.42) ALDH1A1TSHRKDM4ELMNAMAPT
SCHEMBL7531334 0.82 ALDH1A1 (0.41) ALDH1A1TSHRKDM4ELMNAMAPT
Citric Acid SCHEMBL986910 0.80 ALDH1A1 (0.52) ALDH1A1TSHRKDM4ELMNAMAPT
Citric Acid SCHEMBL986909 0.80 ALDH1A1 (0.52) ALDH1A1TSHRKDM4ELMNAMAPT
Citric Acid SCHEMBL986674 0.80 ALDH1A1 (0.52) ALDH1A1TSHRKDM4ELMNAMAPT
Citric Acid SCHEMBL986672 0.80 ALDH1A1 (0.52) ALDH1A1TSHRKDM4ELMNAMAPT
SCHEMBL986292 0.79 TSHR (0.49) ALDH1A1TSHRKDM4ELMNAMAPT
SCHEMBL1232092 0.78 ALDH1A1 (0.37) ALDH1A1TSHRKDM4ELMNAMAPT
SCHEMBL1231035 0.78 GAA (0.43) ALDH1A1

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-7862746-B2 Stabilization of natural composites BASF SE. (DE) 2011-01-04 US claimed
WO-2006087269-A1 STABILIZATION OF NATURAL COMPOSITES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-08-24 WO claimed
US-20060183821-A1 Stabilization of natural composites CIBA CORPORATION 2006-08-17 US claimed
US-7862746-B2 Stabilization of natural composites BASF SE. (DE) 2011-01-04 US disclosed
WO-2006087269-A1 STABILIZATION OF NATURAL COMPOSITES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-08-24 WO disclosed
US-20060183821-A1 Stabilization of natural composites CIBA CORPORATION 2006-08-17 US disclosed