SCHEMBL12486807

SCHEMBL12486807

O=C(O)C(=O)/C=C\c1cc2ccccc2cc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 1/20 0.44
TYR P14679 1/20 0.44
MAOB P27338 1/20 0.43
AR P10275 1/20 0.43
JUN P05412 1/20 0.42
NFE2L2 Q16236 1/20 0.42
ALOX5 P09917 1/20 0.40
CHRNA7 P36544 3/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
TBXA2R P21731 1/20 0.39
PTGER4 P35408 1/20 0.39
PTGFR P43088 1/20 0.39
PTGER3 P43115 1/20 0.39
PTGER2 P43116 1/20 0.39
PTGDR Q13258 1/20 0.39
CA12 O43570 1/20 0.39

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
SCHEMBL12486811 1.00 NFKB1 (0.44) NFKB1CA1CA2CA4TYR
SCHEMBL18810744 0.81 LMNA (0.62) NFKB1CA1CA2CA4TYR
SCHEMBL2936064 0.78 NFKB1 (0.71) NFKB1CA1CA2CA4AR
SCHEMBL2936063 0.78 NFKB1 (0.71) NFKB1CA1CA2CA4AR
SCHEMBL2936065 0.78 NFKB1 (0.71) NFKB1CA1CA2CA4AR
SCHEMBL12484669 0.76 CYP1B1 (0.39) NFKB1CA1CA2CA4TYR
SCHEMBL12484665 0.76 CYP1B1 (0.39) NFKB1CA1CA2CA4TYR
SCHEMBL30842601 0.74 RELA (0.58) MAOB
SCHEMBL8746635 0.74 CA1 (0.59) NFKB1CA1CA2CA4LMNA
SCHEMBL15477236 0.73 CYP1B1 (0.51) MAOB

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-9790484-B2 Silica encapsulated biomaterials REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2017-10-17 US disclosed
US-20140051144-A1 SILICA ENCAPSULATED BIOMATERIALS REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-02-20 US disclosed
WO-2012116013-A2 SILICA ENCAPSULATED BIOMATERIALS WACKETT LAWRENCE P (US) 2012-08-30 WO disclosed