SCHEMBL7876886

SCHEMBL7876886

N[C@@H](Cc1ccccc1)C(=O)NC(=O)O.[KH]

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPI P09923 1/20 0.61
PKM P14618 1/20 0.61
PTGS1 P23219 1/20 0.61
XIAP P98170 1/20 0.61
SLC7A5 Q01650 1/20 0.61
SLC15A1 P46059 1/20 0.57
CTSC P53634 1/20 0.56
LTA4H P09960 1/20 0.54
CA12 O43570 1/20 0.50
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
MMP2 P08253 1/20 0.49
SLC1A3 P43003 2/20 0.49
SLC1A2 P43004 2/20 0.49
SLC1A1 P43005 2/20 0.49
NAMPT P43490 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
ANPEP P15144 1/20 0.47
RNPEP Q9H4A4 1/20 0.47
DNPEP Q9ULA0 1/20 0.47

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
SCHEMBL17844273 0.91 ALPI (0.68) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL19584943 0.87 ALPI (0.63) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9285116 0.86 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL9285110 0.86 ALPI (0.61) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL12099617 0.84 SLC7A5 (0.66) SLC7A5MMP2
SCHEMBL3956760 0.83 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL6253114 0.83 ALPI (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL5743374 0.83 NAMPT (0.62) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL10632506 0.83 SLC15A1 (0.58) ALPIPKMPTGS1XIAPSLC7A5
SCHEMBL7700701 0.83 NAMPT (0.62) ALPIPKMPTGS1XIAPSLC7A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6171595-B1 APPLYING PLANT EXTRACT TO INHIBIT HAIR GROWTH AND AGING KAO CORPORATION (JP) 2001-01-09 US disclosed
US-6075052-A FOR PREVENTING OR ALLEVIATING SKIN AGING OR INHIBITING HAIR GROWTH KAO CORPORATION (JP) 2000-06-13 US disclosed
EP-0956852-A2 Skin external preparation Kao Corporation (JP) 1999-11-17 EP disclosed