SCHEMBL9628682

SCHEMBL9628682

CCOCc1ccc(COCC)cc1.CCOCc1cccc(COCC)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.48
IDO1 P14902 7/20 0.41
KCNH2 Q12809 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.38
KDM4E B2RXH2 1/20 0.38
AGXT P21549 4/20 0.38
NTRK1 P04629 1/20 0.38
MRGPRX4 Q96LA9 2/20 0.38
TP53 P04637 1/20 0.38
PKM P14618 1/20 0.38
NFKB1 P19838 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
MAOB P27338 2/20 0.37
CALM1 P0DP23 1/20 0.37
FFAR4 Q5NUL3 1/20 0.36
PTPN1 P18031 1/20 0.36

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
SCHEMBL649159 0.95 TSHR (0.46) TSHRIDO1SMN1; SMN2AGXTMRGPRX4
SCHEMBL13274041 0.89 SOD1 (0.42) TSHRIDO1SMN1; SMN2KDM4EAGXT
SCHEMBL14962810 0.87 IDO1 (0.40) TSHRIDO1SMN1; SMN2AGXTMRGPRX4
SCHEMBL18949771 0.85 ALDH1A1 (0.39) TSHRIDO1SMN1; SMN2AGXTMRGPRX4
SCHEMBL17214615 0.85 ENPP2 (0.50) IDO1SMN1; SMN2MRGPRX4NFKB1MAOB
SCHEMBL20547932 0.85 MRGPRX4 (0.46) TSHRIDO1SMN1; SMN2MRGPRX4TP53
SCHEMBL133476 0.85 TSHR (0.48) TSHRIDO1KCNH2KDM4EAGXT
SCHEMBL29928701 0.85 MRGPRX4 (0.46) TSHRIDO1SMN1; SMN2MRGPRX4TP53
SCHEMBL16478 0.83 TSHR (0.70) TSHRIDO1SMN1; SMN2KDM4EAGXT
SCHEMBL8750524 0.83 IDO1 (0.62) IDO1MAOB

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-5145949-A Production process for making aromatic amine resins MITSUI TOATSU CHEMICALS, INC. (JP) 1992-09-08 US disclosed
US-5106953-A Reacting aromatic amines with bishalogenomethyl derivatives; curing agents or raw materials for polyamides MITSUI TOATSU CHEMICALS, INC. (JP) 1992-04-21 US disclosed