SCHEMBL7531334

SCHEMBL7531334

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

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 3/20 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 1/20 0.30

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 0.88 ALDH1A1 (0.42) ALDH1A1TSHRKDM4ELMNAMAPT
SCHEMBL986292 0.83 TSHR (0.49) ALDH1A1TSHRKDM4ELMNAMAPT
SCHEMBL984989 0.83 ALDH1A1 (0.33) ALDH1A1TSHRKMT2A
SCHEMBL1232092 0.82 ALDH1A1 (0.37) ALDH1A1TSHRKDM4ELMNAMAPT
SCHEMBL987164 0.82 ALDH1A1 (0.44) ALDH1A1TSHRKDM4ELMNAMAPT
Citric Acid SCHEMBL7531324 0.81 ALDH1A1 (0.47) ALDH1A1TSHRKDM4ELMNAMAPT
SCHEMBL1232056 0.80 ALDH1A1 (0.42) ALDH1A1TSHRKDM4ELMNAMAPT
SCHEMBL1232469 0.78 KMT2A (0.52) ALDH1A1TSHRKMT2A
SCHEMBL1232474 0.77 SMN1; SMN2 (0.36) TSHRKMT2A
SCHEMBL1231035 0.74 GAA (0.43) ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002025007-A2 LIGHT-STABLE LIGNOCELLULOSIC MATERIALS AND THEIR PRODUCTION_____ PULP AND PAPER RESEARCH INSTITUTE OF CANADA (CA) 2002-03-28 WO disclosed