SCHEMBL14722330

SCHEMBL14722330

C[C@@H](Nc1cccc2ccccc12)C(=O)O.C[C@@H](Nc1csc2ccccc12)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.49
▸ MAPT P10636 7/20 0.46
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ KDM4E B2RXH2 3/20 0.45
▸ TDP1 Q9NUW8 2/20 0.45
▸ TNNI3 P19429 1/20 0.45
▸ TNNT2 P45379 1/20 0.45
▸ TNNC1 P63316 1/20 0.45
▸ CNR2 P34972 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ CA12 O43570 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ MMP2 P08253 1/20 0.43
▸ MMP9 P14780 1/20 0.43
▸ MMP8 P22894 1/20 0.43

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
SCHEMBL29478388 0.91 PKM (0.58) PKMMAPTRAB9ANPC1TDP1
SCHEMBL29362649 0.91 PKM (0.58) PKMMAPTRAB9ANPC1TDP1
SCHEMBL349628 0.91 PKM (0.58) PKMMAPTRAB9ANPC1TDP1
SCHEMBL173452 0.91 PKM (0.58) PKMMAPTRAB9ANPC1TDP1
SCHEMBL17142326 0.91 PKM (0.58) PKMMAPTRAB9ANPC1TDP1
SCHEMBL837337 0.91 PKM (0.58) PKMMAPTRAB9ANPC1TDP1
SCHEMBL409050 0.86 CA12 (0.54) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL42286 0.86 CA12 (0.54) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL29367675 0.86 CA12 (0.54) MAPTRAB9ANPC1MEN1KMT2A
SCHEMBL42287 0.86 CA12 (0.54) MAPTRAB9ANPC1MEN1KMT2A

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-2748183-A1 POTENT LIGANDS OF THE GHRELIN RECEPTOR Universität Leipzig (DE) 2014-07-02 — — EP claimed
WO-2013026927-A1 POTENT LIGANDS OF THE GHRELIN RECEPTOR UNIVERSITÄT LEIPZIG (DE) 2013-02-28 — — WO claimed
EP-2748183-A1 POTENT LIGANDS OF THE GHRELIN RECEPTOR Universität Leipzig (DE) 2014-07-02 — — EP disclosed
WO-2013026927-A1 POTENT LIGANDS OF THE GHRELIN RECEPTOR UNIVERSITÄT LEIPZIG (DE) 2013-02-28 — — WO disclosed
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