SCHEMBL8048944

SCHEMBL8048944

Cc1ccc(OOC(CO)CO)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.39
TSHR P16473 3/20 0.39
CYP2C9 P11712 1/20 0.39
LMNA P02545 1/20 0.38
WDR5 P61964 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
USP2 O75604 1/20 0.35
KMT2A Q03164 4/20 0.35
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.35
NLRP1 Q9C000 1/20 0.35
CYP3A4 P08684 1/20 0.34
TEAD4 Q15561 1/20 0.34
MEN1 O00255 3/20 0.34
MMP13 P45452 1/20 0.34
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
DRD3 P35462 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
SCHEMBL8048952 0.78 KMT2A (0.47) ACHETSHRCYP2C9LMNAWDR5
SCHEMBL8063813 0.77 ACHE (0.47) ACHELMNAL3MBTL1KMT2AALDH1A1
SCHEMBL11580657 0.75 ACHE (0.48) ACHETSHRLMNAWDR5L3MBTL1
SCHEMBL11128487 0.73 MAPT (0.41) ACHETSHRCYP2C9LMNAWDR5
SCHEMBL8546659 0.73 BRD4 (0.38) ACHETSHRCYP2C9LMNAWDR5
SCHEMBL9586010 0.72 KMT2A (0.40) ACHETSHRCYP2C9LMNAWDR5
SCHEMBL686365 0.71 ACHE (0.61) ACHETSHRLMNAWDR5KMT2A
SCHEMBL2089271 0.70 WDR5 (0.54) ACHETSHRLMNAWDR5L3MBTL1
SCHEMBL16406607 0.70 KMT2A (0.44) ACHETSHRLMNAWDR5L3MBTL1
SCHEMBL8546658 0.69 KMT2A (0.38) ACHETSHRCYP2C9LMNAWDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1002035-A1 CONCENTRATED, STABLE, PREFERABLY CLEAR, FABRIC SOFTENING COMPOSITION CONTAINING AMINE FABRIC SOFTENER THE PROCTER & GAMBLE COMPANY (US) 2000-05-24 EP disclosed
WO-1999006509-A1 CONCENTRATED, STABLE, PREFERABLY CLEAR, FABRIC SOFTENING COMPOSITION CONTAINING AMINE FABRIC SOFTENER THE PROCTER & GAMBLE COMPANY (US) 1999-02-11 WO disclosed
EP-0888424-A1 FABRIC SOFTENING COMPOUND/COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1999-01-07 EP disclosed
EP-0842250-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-05-20 EP disclosed
US-5747443-A BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1998-05-05 US disclosed
WO-1998017750-A1 CONCENTRATED, FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1998-04-30 WO disclosed
WO-1997034972-A1 FABRIC SOFTENING COMPOUND/COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-09-25 WO disclosed
WO-1997003169-A1 CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION THE PROCTER & GAMBLE COMPANY (US) 1997-01-30 WO disclosed