SCHEMBL22201015

SCHEMBL22201015

C=Cc1cccc(OC(CC)CC)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PLAU P00749 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ACACB O00763 1/20 0.37
PTGS2 P35354 1/20 0.37
CHRM5 P08912 1/20 0.36
NFE2L2 Q16236 2/20 0.36
RELA Q04206 1/20 0.35
TSHR P16473 1/20 0.34
CHRNA7 P36544 1/20 0.33
TLR4 O00206 1/20 0.33
TLR2 O60603 1/20 0.33

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
SCHEMBL6289223 0.91 TP53 (0.40) TP53TDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL4592330 0.88 TP53 (0.38) TP53TDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL27603153 0.87 TP53 (0.37) TP53TDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5016969 0.83 TP53 (0.42) TP53TDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL5017313 0.81 TP53 (0.40) TP53TDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL411572 0.80 TP53 (0.48) TP53TDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL409170 0.80 TP53 (0.42) TP53TDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL7776977 0.80 TP53 (0.42) TP53TDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1360257 0.80 TP53 (0.39) TP53TDP1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL2413304 0.79 KDM4E (0.38) TP53TDP1ALDH1A1KDM4ESMN1; SMN2

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-20200218154-A1 RESIST COMPOSITION AND PATTERNING PROCESS SHIN-ETSU CHEMICAL CO., LTD. (JP) 2020-07-09 US disclosed