SCHEMBL9855322

SCHEMBL9855322

O=CC=CC(=C(c1ccc(F)cc1)c1ccc(F)cc1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.41
NPC1 O15118 4/20 0.41
ALDH1A1 P00352 2/20 0.36
POLB P06746 2/20 0.36
EPHX2 P34913 1/20 0.36
AGER Q15109 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
KCNH2 Q12809 1/20 0.34
MTNR1A P48039 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
HSD11B1 P28845 1/20 0.33

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
SCHEMBL9855321 1.00 RAB9A (0.41) RAB9ANPC1ALDH1A1POLBEPHX2
SCHEMBL9855388 0.92 KMT2A (0.37) RAB9ANPC1KMT2AHSD11B1
SCHEMBL9855389 0.92 KMT2A (0.37) RAB9ANPC1KMT2AHSD11B1
SCHEMBL9855369 0.84 RAB9A (0.45) RAB9ANPC1ALDH1A1POLBEPHX2
SCHEMBL9855365 0.76 KMT2A (0.41) RAB9ANPC1KMT2AHSD11B1
SCHEMBL9855210 0.69 CYP1A2 (0.40) SMN1; SMN2
SCHEMBL9855216 0.69 CYP1A2 (0.40) SMN1; SMN2
SCHEMBL6468965 0.69 SRD5A2 (0.62) RAB9ANPC1ALDH1A1POLBKDM4E
SCHEMBL9621921 0.66 CYP1A2 (0.37) NPC1ALDH1A1MEN1KMT2A
SCHEMBL9855471 0.66 HTR7 (0.38) RAB9ANPC1ALDH1A1POLBHDAC3

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-5011947-A Enzyme inhibitors for cholesterol biosythesis BRISTOL-MYERS (US) 1991-04-30 US disclosed