SCHEMBL7101234

SCHEMBL7101234

CCC(O)(C1CC2C=CC1C2)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
LMNA P02545 2/20 0.33
KDM4E B2RXH2 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
HIF1A Q16665 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
CHRM3 P20309 1/20 0.33
PTGS2 P35354 1/20 0.33
HRH1 P35367 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
EPHX2 P34913 2/20 0.32

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
SCHEMBL119840 0.76 ALDH1A1 (0.39) ALDH1A1USP2TDP1LMNAKDM4E
SCHEMBL21626124 0.76 ALDH1A1 (0.42) ALDH1A1USP2TDP1LMNAKDM4E
SCHEMBL18714194 0.75 ALDH1A1 (0.35) ALDH1A1USP2TDP1LMNAKDM4E
SCHEMBL75227 0.75 ALDH1A1 (0.35) ALDH1A1USP2TDP1LMNAKDM4E
SCHEMBL13324798 0.75 ALDH1A1 (0.35) ALDH1A1USP2TDP1LMNAKDM4E
SCHEMBL3880292 0.74 LMNA (0.36) ALDH1A1USP2TDP1LMNAKDM4E
SCHEMBL7048034 0.71 ALDH1A1 (0.35) ALDH1A1USP2TDP1LMNAKDM4E
SCHEMBL9245372 0.71 ALDH1A1 (0.38) ALDH1A1USP2TDP1LMNAKDM4E
SCHEMBL13532353 0.71 ALDH1A1 (0.35) ALDH1A1USP2TDP1LMNAKDM4E
SCHEMBL5892487 0.70 USP2 (0.36) ALDH1A1USP2TDP1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030191268-A1 Polysiloxane, method of manufacturing same, silicon-containing alicyclic compound, and radiation-sensitive resin composition IWASAWA HARUO (JP) 2003-10-09 US disclosed
US-6531260-B2 Photoresist JSR CORPORATION (JP) 2003-03-11 US disclosed
US-20010041769-A1 Polysiloxane, method of manufacturing same, silicon-containingalicyclic compouns, and radiation-sensitive resin composition JSR CORPORATION (JP) 2001-11-15 US disclosed
EP-1142928-A1 Polysiloxane, method of manufacturing same, silicon-containing alicyclic compound, and radiation-sensitive resin compounds JSR Corporation (JP) 2001-10-10 EP disclosed