SCHEMBL5775899

SCHEMBL5775899

CC(c1ccccc1)C(C[Al](CC(C(C)c1ccccc1)S(C)(=O)=O)CC(C(C)c1ccccc1)S(C)(=O)=O)S(C)(=O)=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
TAAR1 Q96RJ0 2/20 0.34
TRPA1 O75762 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GMNN O75496 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
PMP22 Q01453 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CYP2C19 P33261 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33

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
SCHEMBL13999445 0.81 LMNA (0.41) MMP1MMP2MMP3TAAR1TRPA1
SCHEMBL5256014 0.75 TAAR1 (0.40) TAAR1TRPA1KDM4EGMNNALDH1A1
SCHEMBL335892 0.72 TAAR1 (0.41) TAAR1TRPA1LMNATDP1CYP2D6
SCHEMBL5989826 0.72
SCHEMBL2020687 0.69 ALDH1A1 (0.44) TAAR1TRPA1KDM4EGMNNALDH1A1
SCHEMBL335854 0.68 LMNA (0.42) TAAR1TRPA1LMNAPOLBKMT2A
SCHEMBL335496 0.68 TAAR1 (0.56) TAAR1TRPA1KDM4EALDH1A1LMNA
SCHEMBL4379781 0.67 TAAR1 (0.50) TAAR1TRPA1ALDH1A1LMNAKMT2A
SCHEMBL4379785 0.67 TAAR1 (0.50) TAAR1TRPA1ALDH1A1LMNAKMT2A
SCHEMBL13999543 0.67 HKDC1 (0.44) TAAR1TRPA1KDM4EGMNNALDH1A1

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-1613671-A1 PROCESS FOR PREPARING POROUS POLYMERS AND POLYMERS THEREOF Basell Polyolefine GmbH (DE) 2006-01-11 EP disclosed
WO-2004092230-A1 PROCESS FOR PREPARING POROUS POLYMERS AND POLYMERS THEREOF BASELL POLYOLEFINE GMBH (DE) 2004-10-28 WO disclosed