SCHEMBL7712795

SCHEMBL7712795

CCOC(=O)CC(CCc1ccccc1)C(C)C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.53
F2 P00734 4/20 0.51
F10 P00742 4/20 0.51
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ALOX5 P09917 1/20 0.45
ABCB1 P08183 1/20 0.44
PPID Q08752 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
PRSS1 P07477 1/20 0.43
MAPT P10636 1/20 0.43
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6526152 0.85 SMN1; SMN2 (0.56) SMN1; SMN2F2F10TSHRALDH1A1
SCHEMBL27084619 0.83 SMN1; SMN2 (0.49) SMN1; SMN2F2F10TSHRALDH1A1
SCHEMBL18065683 0.83 F2 (0.54) SMN1; SMN2F2F10TSHRALDH1A1
SCHEMBL14544335 0.81 CTSK (0.45) SMN1; SMN2TSHRPRSS1
SCHEMBL14544439 0.81 F2 (0.53) SMN1; SMN2F2F10TSHRALDH1A1
SCHEMBL3070125 0.81 TSHR (0.51) SMN1; SMN2TSHRALDH1A1
SCHEMBL3070122 0.81 TSHR (0.51) SMN1; SMN2TSHRALDH1A1
SCHEMBL8903673 0.81 F2 (0.55) SMN1; SMN2F2F10TSHRALDH1A1
SCHEMBL5552886 0.81 F2 (0.52) SMN1; SMN2F2F10TSHRALDH1A1
SCHEMBL7328942 0.81 F2 (0.52) SMN1; SMN2F2F10TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6369110-B1 PROPHYLACTIC AGENT FOR DISEASES CAUSED BY THE ACCELERATION OF THE SODIUM/PROTON EXCHANGE TRANSPORT SYSTEM SUMITOMO PHARMACEUTICALS COMPANY (JP) 2002-04-09 US disclosed
EP-1083166-A1 NOVEL SUBSTITUTED GUANIDINE DERIVATIVES AND PROCESS FOR PRODUCING THE SAME SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 2001-03-14 EP disclosed