SCHEMBL5061024

SCHEMBL5061024

Oc1ccccc1C(O)OC(O)c1ccccc1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.52
GABRB2 P47870 1/20 0.52
TSHR P16473 3/20 0.46
CA2 P00918 4/20 0.43
LMNA P02545 4/20 0.43
ALDH1A1 P00352 3/20 0.43
ALOX15 P16050 3/20 0.43
MAPT P10636 3/20 0.43
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
NPC1 O15118 2/20 0.43
EGFR P00533 2/20 0.43
FYN P06241 2/20 0.43
MMP9 P14780 2/20 0.43
HPGD P15428 2/20 0.43
CA4 P22748 2/20 0.43
RECQL P46063 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HSD17B10 Q99714 2/20 0.43
TDP1 Q9NUW8 2/20 0.43

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
SCHEMBL467714 0.81 GABRA1 (0.54) GABRA1GABRB2TSHRCA2LMNA
SCHEMBL11504087 0.78 GABRA1 (0.62) GABRA1GABRB2TSHRCA2LMNA
SCHEMBL30195663 0.78 GABRA1 (0.62) GABRA1GABRB2TSHRCA2LMNA
SCHEMBL20235587 0.76 GABRA1 (0.48) GABRA1GABRB2TSHRCA2LMNA
SCHEMBL18702995 0.76 TSHR (0.44) GABRA1GABRB2TSHRCA2LMNA
SCHEMBL196228 0.76 GABRA1 (0.59) GABRA1GABRB2TSHRCA2LMNA
SCHEMBL28219025 0.74 PTPN2 (0.42) GABRA1GABRB2TSHRCA2LMNA
SCHEMBL7782324 0.74 GABRA1 (0.56) GABRA1GABRB2TSHRCA2LMNA
SCHEMBL38665354 0.73 TSHR (0.50) GABRA1GABRB2TSHRCA2LMNA
SCHEMBL16809557 0.73 TSHR (0.50) GABRA1GABRB2TSHRCA2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008002435-A1 VISCOELASTIC FOAMS WITH SLOWER RECOVERY AND IMPROVED TEAR BAYER MATERIALSCIENCE LLC (US) 2008-01-03 WO disclosed
EP-1873179-A1 Viscoelastic foams with slower recovery and improved tear Bayer MaterialScience LLC (US) 2008-01-02 EP disclosed
US-20070299153-A1 Viscoelastic foams with slower recovery and improved tear COVESTRO LLC 2007-12-27 US disclosed
US-4192959-A COUNTERCURRENT EXTRACTION HAARMANN & REIMER (DE) 1980-03-11 US disclosed