SCHEMBL2513356

SCHEMBL2513356

O=C(O)CCCCCCCCCCCNC(CCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.67
MEN1 O00255 1/20 0.67
ABL1 P00519 1/20 0.67
LMNA P02545 1/20 0.67
PKM P14618 1/20 0.67
IDE P14735 1/20 0.67
MAPK1 P28482 1/20 0.67
KMT2A Q03164 1/20 0.67
RIN1 Q13671 1/20 0.67
L3MBTL1 Q9Y468 1/20 0.67
FOLH1 Q04609 8/20 0.58
HLCS P50747 5/20 0.51

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
SCHEMBL2514439 1.00 TDP1 (0.67) TDP1MEN1ABL1LMNAPKM
SCHEMBL9241448 0.93 TDP1 (0.61) TDP1MEN1ABL1LMNAPKM
SCHEMBL6884034 0.91 HLCS (0.65) TDP1MEN1ABL1LMNAPKM
SCHEMBL8760672 0.90 TDP1 (0.63) TDP1MEN1ABL1LMNAPKM
SCHEMBL9241912 0.90 TDP1 (0.60) TDP1MEN1ABL1LMNAPKM
SCHEMBL3120163 0.90 TDP1 (0.54) TDP1MEN1ABL1LMNAPKM
SCHEMBL8578177 0.90 TDP1 (0.54) TDP1MEN1ABL1LMNAPKM
SCHEMBL712974 0.88 HLCS (0.62) TDP1MEN1ABL1LMNAPKM
SCHEMBL6883588 0.88 TDP1 (0.52) TDP1MEN1ABL1LMNAPKM
SCHEMBL4295408 0.88 TDP1 (0.52) TDP1MEN1ABL1LMNAPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2552202-A1 METHODS AND COMPOSITIONS FOR WEIGHT LOSS SDG, Inc. (US) 2013-02-06 EP claimed
WO-2011119953-A1 METHODS AND COMPOSITIONS FOR WEIGHT LOSS SDG, INC. (US) 2011-09-29 WO claimed