SCHEMBL3620173

SCHEMBL3620173

COCCOS(=O)(=O)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
CA2 P00918 5/20 0.44
CA1 P00915 4/20 0.44
CA9 Q16790 3/20 0.44
PRSS1 P07477 2/20 0.44
PRSS2 P07478 2/20 0.44
PRSS3 P35030 2/20 0.44
FAAH O00519 1/20 0.44
ELANE P08246 1/20 0.44
PRTN3 P24158 1/20 0.44
CA5A P35218 1/20 0.44
F2 P00734 1/20 0.42
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPK1 P28482 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40

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
SCHEMBL27855048 0.95 KMT2A (0.47) KMT2ACA2CA1CA9PRSS1
SCHEMBL9309031 0.90 KMT2A (0.61) KMT2ACA2CA1CA9PRSS1
SCHEMBL27676959 0.89 KMT2A (0.49) KMT2ACA2CA1CA9PRSS1
SCHEMBL29482067 0.83 KMT2A (0.53) KMT2ACA2CA1CA9PRSS1
SCHEMBL2383968 0.83 KMT2A (0.53) KMT2ACA2CA1CA9PRSS1
SCHEMBL6916202 0.83 KMT2A (0.53) KMT2ACA2CA1CA9PRSS1
SCHEMBL7619550 0.82 KMT2A (0.57) KMT2ACA2CA1CA9PRSS1
SCHEMBL28243335 0.81 KMT2A (0.52) KMT2ACA2CA1CA9PRSS1
SCHEMBL6912270 0.81 CA1 (0.63) KMT2ACA2CA1CA9PRSS1
SCHEMBL15662268 0.80 KMT2A (0.44) KMT2ACA2CA1CA9PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112608466-B Monomer compound, preparation method thereof, water-soluble fluorescent conjugated molecule and preparation method thereof 青岛大学 2023-01-20 CN claimed
CN-112608466-A Monomer compound, preparation method thereof, water-soluble fluorescent conjugated molecule and preparation method thereof 青岛大学 2021-04-06 CN claimed
CN-112608466-B Monomer compound, preparation method thereof, water-soluble fluorescent conjugated molecule and preparation method thereof 青岛大学 2023-01-20 CN disclosed
CN-112608466-A Monomer compound, preparation method thereof, water-soluble fluorescent conjugated molecule and preparation method thereof 青岛大学 2021-04-06 CN disclosed
CN-103135354-B Positive photosensitive resin composition, photosensitive resin film prepared by using the same, and semiconductor device including the photosensitive resin film CHEIL IND INC 2014-12-10 CN disclosed
EP-2766345-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS Bristol-Myers Squibb Company (US) 2014-08-20 EP disclosed
CN-103135354-A Positive photosensitive resin composition, photosensitive resin film prepared by using the same, and semiconductor device including the photosensitive resin film CHEIL IND INC 2013-06-05 CN disclosed
WO-2013055984-A1 SUBSTITUTED TETRAHYDROISOQUINOLINE COMPOUNDS AS FACTOR XIA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-18 WO disclosed
WO-2012066065-A1 PHENYL-HETEROARYL AMINE COMPOUNDS AND THEIR USES NOVARTIS AG (CH) 2012-05-24 WO disclosed
WO-2010090860-A2 METHODS AND COMPOSITIONS FOR TREATING BACTERIAL INFECTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2010-08-12 WO disclosed