SCHEMBL3470948

SCHEMBL3470948

O=C(O)OB(O)c1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.50
TP53 P04637 1/20 0.50
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
SRD5A2 P31213 3/20 0.44
CA12 O43570 1/20 0.43
CA3 P07451 1/20 0.43
TYR P14679 1/20 0.43
DRD1 P21728 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA5A P35218 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
CA5B Q9Y2D0 1/20 0.43
ALDH1A1 P00352 2/20 0.41
ALOX15 P16050 1/20 0.41
TPMT P51580 1/20 0.41
SMN1; SMN2 Q16637 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
SCHEMBL4100299 0.85 TSHR (0.52) TSHRTP53CA1CA2SRD5A2
SCHEMBL7923924 0.83 TSHR (0.55) TSHRTP53CA1CA2SRD5A2
SCHEMBL1672441 0.80 ORAI1 (0.46) TSHRCA1CA2CA4CA6
SCHEMBL2352991 0.79 CA2 (0.48) CA2SRD5A2ALDH1A1SMN1; SMN2CES2
SCHEMBL1091172 0.79 CA1 (0.52) TSHRTP53CA1CA2SRD5A2
SCHEMBL28104659 0.79 TSHR (0.50) TSHRTP53CA1CA2SRD5A2
SCHEMBL3793010 0.79 KDM4E (0.35) TSHRCA3CA6CA14ALDH1A1
SCHEMBL31718045 0.77 TSHR (0.67) TSHRTP53CA1CA2SRD5A2
SCHEMBL14645353 0.76 CA1 (0.55) CA1CA2CA12CA7CA9
SCHEMBL28132197 0.76 TSHR (0.46) TSHRTP53CA1CA2SRD5A2

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-9296988-B2 Three-dimensional cell adhesion matrix THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2016-03-29 US disclosed
US-20120322145-A1 THREE-DIMENSIONAL CELL ADHESION MATRIX THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2012-12-20 US disclosed
WO-2010148346-A2 THREE-DIMENSIONAL CELL ADHESION MATRIX THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-12-23 WO disclosed