SCHEMBL18979294

SCHEMBL18979294

O=C(N[C@@H](CS)C(=O)O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.64
CA1 P00915 4/20 0.64
HPGDS O60760 2/20 0.58
NPC1 O15118 3/20 0.55
RAB9A P51151 3/20 0.55
CA12 O43570 1/20 0.54
CA9 Q16790 1/20 0.54
CTDSP1 Q9GZU7 1/20 0.53
PTPN1 P18031 2/20 0.51
CTSB P07858 2/20 0.50
CTSS P25774 1/20 0.50
CTSK P43235 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CTRB1 P17538 1/20 0.50
DGAT1 O75907 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
CYP1A2 P05177 1/20 0.48

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
SCHEMBL3447634 0.91 CA2 (0.65) CA2CA1CA12CA9PTPN1
SCHEMBL989156 0.91 CA2 (0.65) CA2CA1CA12CA9PTPN1
SCHEMBL989155 0.91 CA2 (0.65) CA2CA1CA12CA9PTPN1
Ethylenediamine SCHEMBL2476802 0.85 CA2 (0.62) CA2CA1CA12CA9PTPN1
SCHEMBL4264365 0.85 CA2 (0.59) CA2CA1HPGDSNPC1RAB9A
SCHEMBL12985717 0.85 CA2 (0.65) CA2CA1HPGDSNPC1RAB9A
SCHEMBL10346696 0.85 CA2 (0.65) CA2CA1HPGDSNPC1RAB9A
SCHEMBL12334493 0.84 CA2 (0.54) CA2CA1HPGDSNPC1RAB9A
SCHEMBL25411110 0.83 CA2 (0.64) CA2CA1CA12CA9PTPN1
SCHEMBL16447059 0.83 CA2 (0.64) CA2CA1NPC1CA12CA9

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
EP-2524686-B1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT POLA CHEM IND INC (JP) 2017-06-21 EP claimed