SCHEMBL20342016

SCHEMBL20342016

CCCC(C(=O)Nc1ccc(O)cc1)C(C)C

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.68
CA2 P00918 8/20 0.68
CA7 P43166 7/20 0.68
CA14 Q9ULX7 7/20 0.68
HSD17B10 Q99714 2/20 0.50
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
CRHBP P24387 1/20 0.48
CRHR2 Q13324 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HDAC1 Q13547 2/20 0.47
CA12 O43570 2/20 0.46
CA9 Q16790 2/20 0.46
TSHR P16473 2/20 0.46
MEN1 O00255 1/20 0.46
BRD4 O60885 1/20 0.46
NR1I2 O75469 1/20 0.46
ALDH1A1 P00352 1/20 0.46
MB P02144 1/20 0.46
CYP1A1 P04798 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
SCHEMBL14228409 0.82 MAPT (0.52) CA1CA2CA7CA14MAPT
SCHEMBL13276905 0.81 CA1 (1.00) CA1CA2CA7CA14CA12
SCHEMBL31374636 0.79 ALDH1A1 (0.53) CA1CA2CA7CA14HSD17B10
SCHEMBL31374599 0.77 SPHK1 (0.51) CA1CA2CA7CA14HSD17B10
SCHEMBL97700 0.76 CA1 (0.64) CA1CA2CA7CA14HSD17B10
SCHEMBL2608916 0.75 MAPT (0.63) CA1CA2CA7CA14MAPT
SCHEMBL22759120 0.74 MAPT (0.46) CA1CA2CA7CA14HSD17B10
SCHEMBL26083904 0.74 ALDH1A1 (0.59) CA1CA2CA7CA14HSD17B10
SCHEMBL9324598 0.73 MEN1 (0.72) CA1CA2CA7CA14MAPT
SCHEMBL18638424 0.73 CA1 (0.49) CA1CA2CA7CA14HSD17B10

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
EP-3343291-A1 CHEMICALLY AMPLIFIED POSITIVE RESIST COMPOSITION AND RESIST PATTERN FORMING PROCESS Shin-Etsu Chemical Co., Ltd. (JP) 2018-07-04 EP disclosed