SCHEMBL8904104

SCHEMBL8904104

COc1cc(Sc2cc(OC)c(Oc3ccc(N)cc3)c(OC)c2-c2ccc(Oc3ccc(N)cc3)cc2)c(-c2ccc(Oc3ccc(N)cc3)cc2)c(OC)c1Oc1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.41
CYP19A1 P11511 3/20 0.39
NQO2 P16083 1/20 0.39
FYN P06241 2/20 0.39
ALDH1A1 P00352 6/20 0.38
TDP1 Q9NUW8 4/20 0.38
CYP3A4 P08684 2/20 0.38
TSHR P16473 1/20 0.38
TEAD4 Q15561 1/20 0.37
TUBB4A P04350 2/20 0.36
TUBB P07437 2/20 0.36
TUBA3C P0DPH7 2/20 0.36
TUBA1B P68363 2/20 0.36
TUBA4A P68366 2/20 0.36
TUBB4B P68371 2/20 0.36
TUBB3 Q13509 2/20 0.36
TUBB2A Q13885 2/20 0.36
TUBB8 Q3ZCM7 2/20 0.36
TUBA3E Q6PEY2 2/20 0.36
TUBA1A Q71U36 2/20 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
SCHEMBL5604091 0.89 MAOB (0.43) SMN1; SMN2CYP19A1FYNALDH1A1CYP3A4
SCHEMBL8905674 0.73 SMN1; SMN2 (0.46) SMN1; SMN2CYP19A1NQO2ALDH1A1TDP1
SCHEMBL8904108 0.73 SMN1; SMN2 (0.46) SMN1; SMN2CYP19A1NQO2ALDH1A1TDP1
SCHEMBL8706118 0.69 MAOB (0.47) SMN1; SMN2CYP19A1ALDH1A1CYP3A4MAPT
SCHEMBL8157862 0.67 CYP19A1 (0.56) SMN1; SMN2CYP19A1NQO2ALDH1A1TDP1
SCHEMBL28681409 0.67 FYN (0.64) CYP19A1NQO2FYNALDH1A1TDP1
SCHEMBL4985207 0.67 TDP1 (0.73) SMN1; SMN2ALDH1A1TDP1CYP3A4TSHR
SCHEMBL8153663 0.66 ALDH1A1 (0.49) SMN1; SMN2CYP19A1NQO2ALDH1A1TDP1
SCHEMBL8578395 0.66 PTGS2 (0.56) SMN1; SMN2CYP19A1NQO2ALDH1A1TDP1
SCHEMBL8154167 0.66 SMN1; SMN2 (0.45) SMN1; SMN2CYP19A1NQO2ALDH1A1TDP1

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-5650463-A Carbon fiber-reinforced polimide resin composition MITSUI TOATSU CHEMICALS, INC. (JP) 1997-07-22 US disclosed
US-5554765-A HEAT RESISTANCE MITSUI TOATSU CHEMICALS, INC. (JP) 1996-09-10 US disclosed
EP-0523240-B1 BISIMIDE COMPOUNDS, POLYIMIDE RESIN COMPOSITION PREPARED THEREFROM, AND CARBON FIBER-REINFORCED POLYIMIDE RESIN COMPOSITION MITSUI TOATSU CHEMICALS (JP) 1996-03-20 EP disclosed