SCHEMBL3426499

SCHEMBL3426499

CC(C)(C)c1ccccc1B(O)O.CC(C)(O)C(C)(C)O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TSHR P16473 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA2 P00918 1/20 0.43
ENPP2 Q13822 2/20 0.39
GABRA1 P14867 1/20 0.38
GABRB2 P47870 1/20 0.38
RBP4 P02753 1/20 0.34
ORAI1 Q96D31 1/20 0.33
ORAI2 Q96SN7 1/20 0.33
ORAI3 Q9BRQ5 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
HSD11B1 P28845 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
KIF11 P52732 1/20 0.32
LIPE Q05469 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32

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
SCHEMBL26450 0.93 ALDH1A1 (0.52) ALDH1A1TSHRTDP1CA2ENPP2
SCHEMBL30038787 0.93 ALDH1A1 (0.52) ALDH1A1TSHRTDP1CA2ENPP2
SCHEMBL1507181 0.87 TDP1 (0.46) ALDH1A1TSHRTDP1CA2ENPP2
SCHEMBL15011081 0.82 ENPP2 (0.41) ALDH1A1TSHRTDP1CA2ENPP2
SCHEMBL28107367 0.79 ENPP2 (0.71) ALDH1A1TSHRTDP1CA2ENPP2
SCHEMBL3426496 0.77 ALDH1A1 (0.38) ALDH1A1TSHRTDP1CA2ENPP2
SCHEMBL3419277 0.76 ENPP2 (0.43) ALDH1A1TSHRTDP1CA2ENPP2
SCHEMBL6048537 0.76 ENPP2 (0.40) ALDH1A1TSHRTDP1CA2ENPP2
SCHEMBL20975383 0.76 ENPP2 (0.40) ALDH1A1TSHRTDP1CA2ENPP2
SCHEMBL3324879 0.74 ENPP2 (0.39) ALDH1A1TSHRTDP1ENPP2ORAI1

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
US-9109081-B2 Method for producing aromatic polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-08-18 US disclosed
EP-1854833-B1 METHOD FOR PRODUCING AROMATIC POLYMER SUMITOMO CHEMICAL CO (JP) 2013-07-31 EP disclosed
US-20100144999-A1 METHOD FOR PRODUCING AROMATIC POLYMER SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2010-06-10 US disclosed
EP-1854833-A1 METHOD FOR PRODUCING AROMATIC POLYMER Sumitomo Chemical Company, Limited (JP) 2007-11-14 EP disclosed