SCHEMBL10399181

SCHEMBL10399181

CCOC(=O)/C=C/C=C(c1ccccc1C(F)(F)F)c1ccccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.41
TSHR P16473 1/20 0.41
KCNK3 O14649 1/20 0.40
KCNK9 Q9NPC2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 3/20 0.39
MDM2 Q00987 1/20 0.39
MAOB P27338 1/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 1/20 0.38
CTSS P25774 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38

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
SCHEMBL10399182 1.00 LMNA (0.41) LMNATSHRKCNK3KCNK9GAA
SCHEMBL10397809 0.82 NPC1 (0.46) LMNATSHRGAAMAPTMDM2
SCHEMBL10396464 0.82 NPC1 (0.46) LMNATSHRGAAMAPTMDM2
SCHEMBL10397808 0.82 NPC1 (0.46) LMNATSHRGAAMAPTMDM2
SCHEMBL10398922 0.79 LMNA (0.47) LMNAKCNK3KCNK9GAAMAOB
SCHEMBL10398920 0.79 LMNA (0.47) LMNAKCNK3KCNK9GAAMAOB
SCHEMBL3938554 0.77 MAPT (0.45) LMNATSHRGAAMAPTMAOB
SCHEMBL3938552 0.77 MAPT (0.45) LMNATSHRGAAMAPTMAOB
SCHEMBL5692921 0.76 MAPT (0.55) LMNAMAPTMDM2KDM4EALDH1A1
SCHEMBL5692918 0.76 MAPT (0.55) LMNAMAPTMDM2KDM4EALDH1A1

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-4975438-A ANTICOAGULANT HOFFMANN-LA ROCHE INC. (US) 1990-12-04 US disclosed
US-4788206-A CARDIOVASCULAR DISORDERS, PLATELETS HOFFMANN-LA ROCHE INC. (US) 1988-11-29 US disclosed