SCHEMBL2364427

SCHEMBL2364427

C=C(C)CNc1cccc(B(O)O)c1.[H+]

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 1/20 0.41
LPL P06858 2/20 0.41
LIPG Q9Y5X9 2/20 0.41
ENPP2 Q13822 6/20 0.40
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
MGLL Q99685 2/20 0.37
TRPV1 Q8NER1 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL3785277 0.78 LPL (0.46) NLRP3LPLLIPGENPP2KDM4E
SCHEMBL22023200 0.77 NLRP3 (0.46) NLRP3ENPP2KDM4EALDH1A1CA12
SCHEMBL9497585 0.76 ALDH1A1 (0.50) NLRP3ALDH1A1CA12CA2CA9
SCHEMBL19914820 0.76 MAPT (0.60) KDM4EALDH1A1
SCHEMBL7820158 0.75 NLRP3 (0.45) NLRP3ENPP2KDM4EALDH1A1CA12
SCHEMBL15150688 0.74 ENPP2 (0.46) NLRP3LPLLIPGENPP2KDM4E
SCHEMBL31482482 0.73 ENPP2 (0.42) NLRP3LPLLIPGENPP2KDM4E
SCHEMBL5974410 0.73 PKM (0.46) KDM4EALDH1A1
SCHEMBL3191409 0.73 ENPP2 (0.48) NLRP3LPLLIPGENPP2KDM4E
SCHEMBL11385963 0.72 RAB9A (0.58) ALDH1A1

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-7988685-B2 Hydrogel compositions, devices, and microscale components REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2011-08-02 US disclosed
US-20040248326-A1 Hydrogel compositions, devices, and microscale components REGENTS OF THE UNIVERSITY OF MINNESOTA 2004-12-09 US disclosed
WO-2003051286-A2 HYDROGEL COMPOSITIONS, DEVICES, AND MICROSCALE COMPONENTS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2003-06-26 WO disclosed