SCHEMBL1552644

SCHEMBL1552644

Nc1cc(C(=O)O)cc(C(=O)O)c1C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.42
KMT2A Q03164 3/20 0.42
GFER P55789 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 6/20 0.41
TDP1 Q9NUW8 4/20 0.41
MAPT P10636 4/20 0.41
THRB P10828 3/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
USP2 O75604 1/20 0.41
PKM P14618 1/20 0.41
APEX1 P27695 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
MCL1 Q07820 1/20 0.41
CYP3A4 P08684 1/20 0.39
IDO1 P14902 1/20 0.39
GLA P06280 1/20 0.39
KEAP1 Q14145 1/20 0.39

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
SCHEMBL6051288 0.86 CA12 (0.46) KDM4EKMT2AGFERALDH1A1TDP1
SCHEMBL31276930 0.84 CA12 (0.44) KDM4EKMT2AGFERALDH1A1TDP1
SCHEMBL23503 0.84 CA12 (0.48) KDM4EALDH1A1TDP1MAPTCA12
Ammonia Solution, Strong SCHEMBL27387572 0.81 CA12 (0.46) KDM4EALDH1A1TDP1MAPTCA12
SCHEMBL3940128 0.80 KDM4E (0.45) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL11235704 0.80 KDM4E (0.61) KDM4EKMT2AGFERRXFP1ALDH1A1
Hydrochloric Acid SCHEMBL4299803 0.78 MAPT (0.45) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL15440294 0.78 CA12 (0.43) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL4306857 0.78 MMP2 (0.50) KDM4EKMT2AGFERRXFP1ALDH1A1
SCHEMBL499452 0.78 DHODH (0.40) KDM4EALDH1A1TDP1MAPTPOLB

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7947087-B2 Color transfer inhibitors, detergent compositions containing the same and uses therefor HENKEL AG & CO. KGAA (DE) 2011-05-24 US claimed
US-20090069210-A1 COLOUR-PROTECTING LAUNDRY DETERGENT COMPOSITION HENKEL AG & CO. KGAA (DE) 2009-03-12 US claimed
US-7947087-B2 Color transfer inhibitors, detergent compositions containing the same and uses therefor HENKEL AG & CO. KGAA (DE) 2011-05-24 US disclosed
EP-1994133-B1 COLOUR-PROTECTING LAUNDRY DETERGENT COMPOSITION HENKEL AG & CO KGAA (DE) 2011-04-27 EP disclosed
US-20090069210-A1 COLOUR-PROTECTING LAUNDRY DETERGENT COMPOSITION HENKEL AG & CO. KGAA (DE) 2009-03-12 US disclosed