SCHEMBL987116

SCHEMBL987116

CN1C(C)(C)CC(OC(=O)CC(O)(CC(=O)O)C(=O)O)CC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
TSHR P16473 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
KMT2A Q03164 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
SCHEMBL987583 0.96 TSHR (0.34) ALDH1A1TSHRKDM4ELMNAMAPT
Citric Acid SCHEMBL986430 0.90 ALDH1A1 (0.38) ALDH1A1TSHRKDM4ELMNAMAPT
Citric Acid SCHEMBL986429 0.90 ALDH1A1 (0.38) ALDH1A1TSHRKDM4ELMNAMAPT
Citric Acid SCHEMBL988186 0.89 ALDH1A1 (0.42) ALDH1A1TSHRKDM4ELMNAMAPT
Citric Acid SCHEMBL988184 0.89 ALDH1A1 (0.42) ALDH1A1TSHRKDM4ELMNAMAPT
SCHEMBL986836 0.89 ALDH1A1 (0.42) ALDH1A1TSHRKDM4ELMNAMAPT
SCHEMBL986943 0.84 KMT2A (0.31) TSHRKMT2A
SCHEMBL987217 0.84 GAA (0.40) ALDH1A1TSHRKDM4ELMNAMAPT
SCHEMBL3797435 0.82 ALDH1A1 (0.36) ALDH1A1TSHRKDM4ELMNAMAPT
SCHEMBL985035 0.82 GAA (0.43) ALDH1A1TSHRKDM4ELMNAMAPT

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