SCHEMBL987583

SCHEMBL987583

CN1C(C)(C)CC(OC(=O)CC(O)(CC(=O)OC2CC(C)(C)N(C)C(C)(C)C2)C(=O)O)CC1(C)C

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL987116 0.96 ALDH1A1 (0.42) TSHRALDH1A1KDM4ELMNAMAPT
SCHEMBL986943 0.88 KMT2A (0.31) TSHRKMT2AMEN1GAA
SCHEMBL987217 0.88 GAA (0.40) TSHRALDH1A1KDM4ELMNAMAPT
Citric Acid SCHEMBL986430 0.85 ALDH1A1 (0.38) TSHRALDH1A1KDM4ELMNAMAPT
Citric Acid SCHEMBL986429 0.85 ALDH1A1 (0.38) TSHRALDH1A1KDM4ELMNAMAPT
Citric Acid SCHEMBL988184 0.84 ALDH1A1 (0.42) TSHRALDH1A1KDM4ELMNAMAPT
Citric Acid SCHEMBL988186 0.84 ALDH1A1 (0.42) TSHRALDH1A1KDM4ELMNAMAPT
SCHEMBL986836 0.84 ALDH1A1 (0.42) TSHRALDH1A1KDM4ELMNAMAPT
SCHEMBL3803300 0.81 TSHR (0.34) TSHRALDH1A1KMT2AMEN1GAA
SCHEMBL987437 0.80 GAA (0.47) ALDH1A1KDM4EKMT2AGAA

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 3 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
WO-2006087269-A1 STABILIZATION OF NATURAL COMPOSITES CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2006-08-24 WO disclosed