SCHEMBL2324176

SCHEMBL2324176

CCCC(=O)c1ccccc1C(=O)N[C@@H](CCS(=O)(=O)O)C(=O)O.O=C(N[C@@H](CCS(=O)(=O)O)C(=O)O)c1cccc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FNTA P49354 3/20 0.43
FNTB P49356 3/20 0.43
CTSV O60911 1/20 0.43
CTSL P07711 1/20 0.43
CTSB P07858 1/20 0.43
CTSS P25774 1/20 0.43
ALDH1A1 P00352 3/20 0.41
HPGD P15428 3/20 0.41
THRB P10828 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C9 P11712 3/20 0.41
PYGL P06737 3/20 0.41
PLK1 P53350 1/20 0.41
KCNA5 P22460 1/20 0.40
CCKBR P32239 1/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
KDM4E B2RXH2 2/20 0.40
GMNN O75496 2/20 0.40
LMNA P02545 2/20 0.40

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
SCHEMBL2504033 0.92 CA2 (0.42) FNTAFNTBHPGDL3MBTL1CYP2C9
SCHEMBL2507073 0.91 MMP3 (0.47) FNTAFNTBCTSVCTSLCTSB
SCHEMBL2333987 0.84 CA2 (0.43) FNTAFNTBCYP2C9PYGLKCNA5
SCHEMBL2331119 0.82 HPGD (0.39) FNTAFNTBALDH1A1HPGDL3MBTL1
SCHEMBL2331128 0.82 HPGD (0.39) FNTAFNTBALDH1A1HPGDL3MBTL1
SCHEMBL2333701 0.82 TAS1R3 (0.40) FNTAFNTBCTSSCYP2C9PYGL
SCHEMBL13583765 0.81 ALDH1A1 (0.48) CTSVCTSLCTSBCTSSALDH1A1
SCHEMBL2328691 0.79 CA2 (0.41) FNTAFNTBCYP2C9PYGLKCNA5
SCHEMBL2330556 0.79 MMP3 (0.49) CTSVCTSLCTSBCTSSALDH1A1
SCHEMBL10659462 0.79 MMP3 (0.49) CTSVCTSLCTSBCTSSALDH1A1

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-2356979-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2011-08-17 EP disclosed