SCHEMBL19954452

SCHEMBL19954452

CC(C)CC(c1ccc(OCCOc2ccc(S(=O)(=O)O)cc2)cc1)C(C)C

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA12 O43570 6/20 0.40
CA1 P00915 6/20 0.40
CA2 P00918 6/20 0.40
CA9 Q16790 6/20 0.40
CA4 P22748 4/20 0.40
MAPK1 P28482 1/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39
CA7 P43166 2/20 0.38
TSHR P16473 1/20 0.38
MMP3 P08254 3/20 0.38
MMP2 P08253 3/20 0.37
MMP9 P14780 3/20 0.37
MMP8 P22894 1/20 0.37
MMP13 P45452 1/20 0.37
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 1/20 0.36
MAPT P10636 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
SCHEMBL21465952 0.96 CA12 (0.42) CA12CA1CA2CA9CA4
SCHEMBL14099366 0.88 LMNA (0.41) CA12CA1CA2CA9MAPK1
SCHEMBL14464083 0.78 ALDH1A1 (0.55) CA12CA1CA2CA9CA7
SCHEMBL12743793 0.78 CA12 (0.50) CA12CA1CA2CA9CA4
SCHEMBL19954363 0.78 CA12 (0.35) CA12CA1CA2CA9CA4
SCHEMBL18419698 0.77 LMNA (0.35) CA1CA2TSHR
SCHEMBL6947559 0.76 MAPK1 (0.57) CA12CA1CA2CA9MAPK1
SCHEMBL9293151 0.75 CA12 (0.42) CA12CA1CA2CA9MAPK1
SCHEMBL19184544 0.74 RXRA (0.40) MAPK1GAAHTTTAS1R3TAS1R1
SCHEMBL18119993 0.74 MEN1 (0.56) CA12CA1CA2CA9CA4

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-9915870-B2 Pattern forming method, composition kit and resist film, and method for producing electronic device using them, and electronic device FUJIFILM CORPORATION (JP) 2018-03-13 US disclosed