SCHEMBL8048952

SCHEMBL8048952

Cc1ccc(OC(CO)CO)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
ALDH1A1 P00352 1/20 0.47
NLRP1 Q9C000 1/20 0.47
ACHE P22303 2/20 0.42
TSHR P16473 3/20 0.41
CYP2C9 P11712 1/20 0.41
PPARG P37231 2/20 0.40
PPARA Q07869 2/20 0.40
LMNA P02545 2/20 0.40
WDR5 P61964 1/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
BRD4 O60885 1/20 0.37
CCL2 P13500 1/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
TEAD4 Q15561 1/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL11128487 0.90 MAPT (0.41) KMT2AMAPTALDH1A1NLRP1ACHE
SCHEMBL9586010 0.88 KMT2A (0.40) KMT2AMAPTALDH1A1NLRP1ACHE
SCHEMBL8546659 0.85 BRD4 (0.38) KMT2AMAPTALDH1A1NLRP1ACHE
SCHEMBL8546658 0.85 KMT2A (0.38) KMT2AMAPTALDH1A1NLRP1ACHE
SCHEMBL16406607 0.82 KMT2A (0.44) KMT2AMAPTALDH1A1NLRP1ACHE
SCHEMBL14338475 0.80 KMT2A (0.35) KMT2AMAPTALDH1A1NLRP1ACHE
SCHEMBL7019275 0.80 MAPT (0.46) KMT2AMAPTALDH1A1NLRP1ACHE
SCHEMBL12952589 0.79 ACHE (0.44) KMT2AMAPTALDH1A1NLRP1ACHE
SCHEMBL10748557 0.79 MEN1 (0.46) KMT2AMAPTALDH1A1TSHRCYP2C9
SCHEMBL8048944 0.78 ACHE (0.39) KMT2AMAPTALDH1A1NLRP1ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN claimed
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
CN-1196082-A Concentrated stable fabric softening compositions comprising chelants PROCTER & GAMBLE (US) 1998-10-14 CN disclosed
CN-1195369-A Concentrated and stable fabric softening compositions PROCTER & GAMBLE (US) 1998-10-07 CN 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