SCHEMBL7972963

SCHEMBL7972963

O=C(CC(C(=O)Oc1ccccc1)S(=O)(=O)O)Oc1ccccc1.[NaH]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
CYP19A1 P11511 1/20 0.41
ELANE P08246 2/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
SRC P12931 1/20 0.36
MAPT P10636 4/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALOX15 P16050 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL1592207 0.98 ATM (0.41) ATML3MBTL1CYP19A1ELANEPRSS1
SCHEMBL11668465 0.89 CYP19A1 (0.41) ATML3MBTL1CYP19A1ELANEPRSS1
SCHEMBL28245135 0.88 KMT2A (0.43) ATML3MBTL1CYP19A1ELANEMAPT
SCHEMBL1592208 0.87 ATM (0.42) ATML3MBTL1CYP19A1ELANESRC
SCHEMBL28245693 0.86 PIN1 (0.45) ATML3MBTL1CYP19A1ELANEMAPT
SCHEMBL1777270 0.84 CASP1 (0.41) CYP19A1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL29082255 0.84 KMT2A (0.49) L3MBTL1MAPTALDH1A1TDP1HSD17B10
SCHEMBL7972965 0.84 ATM (0.39) ATML3MBTL1CYP19A1ELANEPRSS1
SCHEMBL28245774 0.84 ALDH1A1 (0.43) ATML3MBTL1CYP19A1ELANEMAPT
SCHEMBL11832238 0.82 ATM (0.41) ATML3MBTL1CYP19A1ELANESRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6284721-B1 MIXTURE OF ACID, NITRATE AND FLUORIDE INNOROOT CO., LTD. (KR) 2001-09-04 US disclosed
CN-1067859-A NEW PACKAGING/CONTAINERIZATION SYSTEM RHONE POULENC AGROCHIMIE (FR) 1993-01-13 CN disclosed
CN-1067629-A NEW PACKAGING/CONTAINERIZATION SYSTEM RHONE POULENC AGROCHIMIE (FR) 1993-01-06 CN disclosed