SCHEMBL10390331

SCHEMBL10390331

C=CCc1cc(C(=O)OC)cc(C(=O)OC)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
KDM4E B2RXH2 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
POLB P06746 2/20 0.46
LMNA P02545 2/20 0.46
CYP3A4 P08684 2/20 0.46
GAA P10253 1/20 0.46
NFKB1 P19838 1/20 0.46
XDH P47989 1/20 0.46
GFER P55789 1/20 0.46
NFKB2 Q00653 1/20 0.46
RELA Q04206 1/20 0.46
FUT7 Q11130 1/20 0.46
MEN1 O00255 1/20 0.46

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
SCHEMBL20819296 0.85 HTT (0.51) TDP1POLBGAAMEN1KMT2A
SCHEMBL18614953 0.85 NOTUM (0.56) CA12CA1CA2CA7CA9
SCHEMBL25370949 0.83 MRGPRX4 (0.48) CA12CA1CA2CA7CA9
SCHEMBL757447 0.83 LOXL2 (0.64) KDM4ETDP1L3MBTL1CYP3A4MEN1
SCHEMBL1427802 0.81 LOXL2 (0.59) CA12CA1CA2CA7CA9
SCHEMBL4503220 0.81 KDM4E (0.44) KDM4ETDP1L3MBTL1CYP3A4MEN1
Bromide SCHEMBL28224566 0.80 LOXL2 (0.58) CA12CA1CA2CA7CA9
SCHEMBL22469960 0.79 MAPT (0.41) KDM4ETDP1L3MBTL1POLBCYP3A4
SCHEMBL3542435 0.79 KDM4E (0.44) CA12CA1CA2CA7CA9
SCHEMBL20377195 0.79 CA12 (0.53) CA12CA1CA2CA7CA9

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-4975490-A Phthalic acid ester-modified organopolysiloxane and method for its preparation TORAY SILICONE COMPANY, LTD. (JP) 1990-12-04 US disclosed
US-4924020-A Phthalic acid ester-modified organopolysiloxane and method for its preparation TORAY SILICON COMPANY, LTD. (JP) 1990-05-08 US disclosed
EP-0316915-A2 Phthalic acid ester-modified organopolysiloxane and method for its preparation TORAY SILICONE COMPANY, LIMITED (JP) 1989-05-24 EP disclosed