SCHEMBL2332534

SCHEMBL2332534

CCCOC(=O)C(CCSC)NC(=O)c1ccccc1OC

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.60
RAB9A P51151 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.52
TAS1R3 Q7RTX0 2/20 0.51
TAS1R1 Q7RTX1 2/20 0.51
ALDH1A1 P00352 2/20 0.50
HPGD P15428 3/20 0.46
CTSD P07339 1/20 0.46
CNR1 P21554 2/20 0.45
CNR2 P34972 2/20 0.45
FNTA P49354 1/20 0.45
FNTB P49356 1/20 0.45
TP53 P04637 1/20 0.44
GLA P06280 1/20 0.44

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
SCHEMBL2332541 1.00 KMT2A (0.60) KMT2ARAB9AL3MBTL1TAS1R3TAS1R1
SCHEMBL2328058 0.91 KMT2A (0.62) KMT2ARAB9AL3MBTL1TAS1R3TAS1R1
SCHEMBL2328054 0.91 KMT2A (0.62) KMT2ARAB9AL3MBTL1TAS1R3TAS1R1
SCHEMBL2323211 0.90 ALDH1A1 (0.53) KMT2ARAB9AL3MBTL1TAS1R3TAS1R1
SCHEMBL2323210 0.90 ALDH1A1 (0.53) KMT2ARAB9AL3MBTL1TAS1R3TAS1R1
SCHEMBL2326551 0.89 KMT2A (0.66) KMT2ARAB9AL3MBTL1TAS1R3TAS1R1
SCHEMBL2326548 0.89 KMT2A (0.66) KMT2ARAB9AL3MBTL1TAS1R3TAS1R1
SCHEMBL2327144 0.84 KMT2A (0.66) KMT2ARAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL2327147 0.84 KMT2A (0.66) KMT2ARAB9AL3MBTL1ALDH1A1HPGD
SCHEMBL2327912 0.84 FNTA (0.52) KMT2AL3MBTL1FNTAFNTB

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-2356979-B1 ANTI-WRINKLE AGENTS POLA CHEM IND INC (JP) 2017-10-25 EP disclosed
EP-3173063-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2017-05-31 EP disclosed
CN-102215812-B Anti-wrinkle agents POLA CHEM IND INC 2014-09-10 CN disclosed
EP-2356979-A1 ANTI-WRINKLE AGENTS Pola Chemical Industries Inc. (JP) 2011-08-17 EP disclosed