SCHEMBL13822285

SCHEMBL13822285

CCCCOc1ccccc1-c1ccccc1C(=O)N[C@@H](CCS(=O)(=O)O)C(=O)OCC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 5/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CNR2 P34972 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GALR1 P47211 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HCRTR1 O43613 1/20 0.37
NR1I2 O75469 1/20 0.37
LMNA P02545 1/20 0.37
CHRM2 P08172 1/20 0.37
CYP3A4 P08684 1/20 0.37
ADRA2A P08913 1/20 0.37
MAPT P10636 1/20 0.37
OPRK1 P41145 1/20 0.37
HTR2B P41595 1/20 0.37

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
SCHEMBL13822289 0.95 TDP1 (0.41) TDP1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL13822599 0.93 ALDH1A1 (0.42) TDP1ALDH1A1TSHRMEN1KMT2A
SCHEMBL13583500 0.92 ALDH1A1 (0.48) TDP1ALDH1A1TP53TSHRMEN1
SCHEMBL13583604 0.90 ALDH1A1 (0.44) ALDH1A1KDM4ETP53MEN1KMT2A
SCHEMBL13822310 0.89 TAS1R3 (0.44) TDP1ALDH1A1KDM4ETSHRMEN1
SCHEMBL13583620 0.86 MEN1 (0.46) TDP1ALDH1A1TP53TSHRMEN1
SCHEMBL13822294 0.85 MEN1 (0.44) TDP1MEN1KMT2AGAA
SCHEMBL13822277 0.85 MEN1 (0.40) MEN1KMT2A
SCHEMBL13583393 0.85 FNTA (0.44) ALDH1A1KDM4EMEN1KMT2AGAA
SCHEMBL13583212 0.84 KDM4E (0.43) TDP1ALDH1A1KDM4ETP53TSHR

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 2 patents. 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 disclosed
EP-2524686-A1 PIGMENTATION-PREVENTING OR -AMELIORATING AGENT Pola Chemical Industries Inc. (JP) 2012-11-21 EP disclosed