SCHEMBL14036796

SCHEMBL14036796

CC(CO)COCCCCCCCCCCOCn1cc(F)c(=O)[nH]c1=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.42
KDM4E B2RXH2 1/20 0.41
CYP1A2 P05177 1/20 0.41
GRIA1 P42261 1/20 0.41
GRIA2 P42262 1/20 0.41
GRIA3 P42263 1/20 0.41
GRIA4 P48058 1/20 0.41
GRIK5 Q16478 1/20 0.41
LMNA P02545 4/20 0.40
KMT2A Q03164 1/20 0.40
UPP1 Q16831 1/20 0.38
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPK3 P27361 1/20 0.36
ASAH1 Q13510 1/20 0.36
SQOR Q9Y6N5 1/20 0.36
DUT P33316 1/20 0.35

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
SCHEMBL5017332 0.83 LMNA (0.49) SMN1; SMN2KDM4ECYP1A2GRIA1GRIA2
SCHEMBL14036914 0.83 CYP1A2 (0.40) SMN1; SMN2KDM4ECYP1A2GRIA1GRIA2
SCHEMBL11399957 0.79 SMN1; SMN2 (0.52) SMN1; SMN2KDM4ECYP1A2GRIA1GRIA2
SCHEMBL5015576 0.79 LMNA (0.48) SMN1; SMN2KDM4ECYP1A2GRIA1GRIA2
SCHEMBL14036739 0.78 LMNA (0.41) SMN1; SMN2KDM4ECYP1A2GRIA1GRIA2
SCHEMBL3786418 0.78 UPP1 (0.57) KDM4ECYP1A2GRIA1GRIA2GRIA3
SCHEMBL10479183 0.78 LMNA (0.40) SMN1; SMN2KDM4ECYP1A2GRIA1GRIA2
SCHEMBL13650209 0.75 LMNA (0.50) SMN1; SMN2KDM4ECYP1A2GRIA1GRIA2
SCHEMBL10479219 0.75 LMNA (0.42) SMN1; SMN2KDM4ECYP1A2GRIA1GRIA2
SCHEMBL11099078 0.72 LMNA (0.51) SMN1; SMN2KDM4ECYP1A2GRIA1GRIA2

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-1465876-B1 LONG CHAIN FATTY ALCOHOL SUBSTITUENTS IN ANTINEOPLASTIC AGENTS PFAENDLER HANS RUDOLF (DE) 2008-11-05 EP disclosed