SCHEMBL7927764

SCHEMBL7927764

O=C(OC(=O)c1c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c1C(=O)O)c1ccc(C(=O)OC(=O)c2c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c2C(=O)OC(=O)c2c(C(=O)O)c(C(=O)O)c(C(=O)O)c(C(=O)O)c2C(=O)O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
TP53 P04637 1/20 0.43
F2 P00734 1/20 0.41
LMNA P02545 1/20 0.41
SRD5A2 P31213 1/20 0.39
CA1 P00915 7/20 0.37
CA2 P00918 7/20 0.37
CA12 O43570 4/20 0.37
CA7 P43166 4/20 0.37
CA9 Q16790 4/20 0.37
CA14 Q9ULX7 4/20 0.37
CA3 P07451 1/20 0.37
TYR P14679 1/20 0.37
DRD1 P21728 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL17385578 0.86 POLB (0.34) TSHRTP53F2LMNACA1
SCHEMBL28049565 0.84 CYP1A2 (0.36) CA1CA2CA12CA7CA9
SCHEMBL2762802 0.84 CYP1A2 (0.36) CA1CA2CA12CA7CA9
SCHEMBL25394619 0.82 HSD17B10 (0.41) TSHRTP53CA1CA2CA12
SCHEMBL1269049 0.82 TSHR (0.67) TSHRTP53SRD5A2CA1CA2
SCHEMBL110030 0.82 TSHR (0.67) TSHRTP53SRD5A2CA1CA2
SCHEMBL15129970 0.82 TSHR (0.67) TSHRTP53SRD5A2CA1CA2
SCHEMBL28210324 0.82 CYP1A2 (0.35) CA1CA2CA12CA7CA9
SCHEMBL27788667 0.82 CYP1A2 (0.35) CA1CA2CA12CA7CA9
SCHEMBL28164884 0.80 TSHR (0.63) TSHRTP53SRD5A2CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6180726-B1 COMPRISING A RESIN CONTAINING FUNCTIONAL HYDROXYL GROUPS SUCH AS POLYESTER, ACRYLIC RESIN, AND ALLYL ALCOHOL CONTAINING RESIN, A POLYFUNCTIONAL EPOXY RESIN, AND ANHYDRIDE COMPOUND; ADHESION, COLOR/GLOSS RETENTION, AND LOW THERMOPLASTICITY H. B. FULLER LICENSING & FINANCING INC. 2001-01-30 US claimed
EP-3713848-A1 ALUMINUM CONTAINER CONTAINING DICARBONATE Lanxess Deutschland GmbH (DE) 2020-09-30 EP disclosed