SCHEMBL6652799

SCHEMBL6652799

C=CC(=O)OC(=O)c1ccco1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.50
CES2 O00748 1/20 0.48
CES1 P23141 1/20 0.48
ALDH1A1 P00352 4/20 0.45
HSD17B10 Q99714 3/20 0.45
PTPN1 P18031 2/20 0.45
PTPN2 P17706 1/20 0.45
PTPN6 P29350 1/20 0.45
PTPN11 Q06124 1/20 0.45
PKM P14618 2/20 0.43
MEN1 O00255 1/20 0.43
POLB P06746 1/20 0.43
THRB P10828 1/20 0.43
APEX1 P27695 1/20 0.43
RECQL P46063 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
TSHR P16473 1/20 0.42
PABPC1 P11940 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL22118488 0.83 CES2 (0.46) KMT2ACES2CES1ALDH1A1HSD17B10
SCHEMBL896787 0.82 CES2 (0.62) KMT2ACES2CES1ALDH1A1HSD17B10
SCHEMBL434646 0.80 ALDH1A1 (0.51) KMT2AALDH1A1HSD17B10MEN1THRB
SCHEMBL28230037 0.79 KMT2A (0.47) KMT2ACES2CES1ALDH1A1HSD17B10
SCHEMBL28065903 0.79 KMT2A (0.47) KMT2ACES2CES1ALDH1A1HSD17B10
SCHEMBL28278771 0.79 KMT2A (0.58) KMT2ACES2CES1ALDH1A1HSD17B10
SCHEMBL28254404 0.79 KMT2A (0.50) KMT2ACES2CES1ALDH1A1HSD17B10
SCHEMBL1203665 0.78 KMT2A (0.53) KMT2ACES2CES1ALDH1A1HSD17B10
SCHEMBL17959698 0.78 ALDH1A1 (0.51) KMT2AALDH1A1HSD17B10MEN1THRB
SCHEMBL28283977 0.78 ALDH1A1 (0.49) KMT2AALDH1A1HSD17B10MEN1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1235922-C Water-absorbent resin and method for producing same NIPPON CATALYTIC CHEM IND (JP) 2006-01-11 CN disclosed
EP-1423467-A1 FLUXING COMPOSITIONS 3M Innovative Properties Company (US) 2004-06-02 EP disclosed
CN-1492884-A Water-absorbent resin and method for producing same ��ʽ�����ձ���ý 2004-04-28 CN disclosed
US-20030111519-A1 Fluxing compositions 3M INNOVATIVE PROPERTIES COMPANY 2003-06-19 US disclosed
WO-2003020816-A1 FLUXING COMPOSITIONS 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-03-13 WO disclosed
CN-1050935-A The light reactive resin composition that can in semi-aqueous, develop DU PONT (US) 1991-04-24 CN disclosed