SCHEMBL22493946

SCHEMBL22493946

CCCCCC(OCC1CO1)Oc1ccc(C2(c3ccc(OC(CCCCC)OCC4CO4)cc3)Cc3ccccc3C2)cc1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 3/20 0.32
GLA P06280 1/20 0.30

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
SCHEMBL28403538 0.83 SIGMAR1 (0.33)
SCHEMBL21829184 0.82 MEN1 (0.32) SMN1; SMN2TDP1MEN1KMT2AALDH1A1
SCHEMBL22493945 0.77 TDP1 (0.37) SMN1; SMN2TDP1MEN1KMT2AALDH1A1
SCHEMBL20492221 0.74 TDP1 (0.60) SMN1; SMN2TDP1MEN1KMT2AALDH1A1
SCHEMBL37928 0.71 ALDH1A1 (0.52) SMN1; SMN2TDP1ALDH1A1
SCHEMBL12009488 0.71 PKM (0.54) SMN1; SMN2TDP1MEN1KMT2AALDH1A1
SCHEMBL6563001 0.70 ALDH1A1 (0.55) SMN1; SMN2TDP1ALDH1A1
SCHEMBL2919761 0.70 ALDH1A1 (0.55) SMN1; SMN2TDP1ALDH1A1
SCHEMBL1002079 0.70 ALDH1A1 (0.55) SMN1; SMN2TDP1ALDH1A1
SCHEMBL17102749 0.70 ALDH1A1 (0.55) SMN1; SMN2TDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200319549-A1 PHOTOSENSITIVE RESIN COMPOSITION, CURED FILM, ELEMENT HAVING CURED FILM, ORGANIC EL DISPLAY, AND METHOD FOR MANUFACTURING ORGANIC EL DISPLAY TORAY INDUSTRIES, INC. (JP) 2020-10-08 US disclosed