SCHEMBL1741964

SCHEMBL1741964

CC(=O)OC(=O)[C@@H](N)CSC/C=C(\C)CC/C=C(\C)CCC=C(C)C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.53
ALDH1A1 P00352 3/20 0.53
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
TRPA1 O75762 1/20 0.52
ICMT O60725 6/20 0.51
ALOX15 P16050 2/20 0.47
FNTA P49354 3/20 0.42
FNTB P49356 3/20 0.42
CYP3A4 P08684 1/20 0.41
UGT1A1 P22309 1/20 0.41

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
SCHEMBL3402724 1.00 MAPT (0.53) MAPTALDH1A1KMT2AMEN1TRPA1
SCHEMBL15527709 0.99 MAPT (0.51) MAPTALDH1A1KMT2AMEN1TRPA1
SCHEMBL4352903 0.88 MAPT (0.57) MAPTALDH1A1KMT2AMEN1TRPA1
SCHEMBL8977916 0.88 MAPT (0.57) MAPTALDH1A1KMT2AMEN1TRPA1
SCHEMBL2880046 0.88 MAPT (0.57) MAPTALDH1A1KMT2AMEN1TRPA1
SCHEMBL8977914 0.88 MAPT (0.57) MAPTALDH1A1KMT2AMEN1TRPA1
SCHEMBL14663234 0.88 MAPT (0.57) MAPTALDH1A1KMT2AMEN1TRPA1
SCHEMBL2880044 0.88 MAPT (0.57) MAPTALDH1A1KMT2AMEN1TRPA1
SCHEMBL14596316 0.88 MAPT (0.57) MAPTALDH1A1KMT2AMEN1TRPA1
SCHEMBL2821557 0.83 MAPT (0.65) MAPTALDH1A1KMT2AMEN1TRPA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2389357-A1 ANTI-INFLAMMATORY COMPLEXES Signum Biosciences, Inc. (US) 2011-11-30 EP disclosed
US-8038936-B2 Cooking device with deodorization LG ELECTRONICS INC. (KR) 2011-10-18 US disclosed
WO-2010090845-A1 ANTI-INFLAMMATORY COMPLEXES SIGNUM BIOSCIENCES, INC. (US) 2010-08-12 WO disclosed
US-5789541-A ENZYME INHIBITORS, FARNESYL OR GERANYL GROUPS, CONTROLLING NEOPLASTIC CELL GROWTH, ANTITUMOR, ANTICARCINOGENIC AGENTS PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 1998-08-04 US disclosed