SCHEMBL8917792

SCHEMBL8917792

CCc1ccc(-c2ccc(F)cc2C=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.43
GCGR P47871 1/20 0.41
MAPK14 Q16539 1/20 0.41
GAA P10253 2/20 0.40
MAPT P10636 4/20 0.39
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
CTDSP1 Q9GZU7 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 3/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
FFAR4 Q5NUL3 2/20 0.37
ERN1 O75460 1/20 0.37
KDM4E B2RXH2 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
ADCY1 Q08828 1/20 0.36

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
SCHEMBL8918235 0.78 ERN1 (0.49) LMNAMAPTKMT2AMEN1ALDH1A1
SCHEMBL1646479 0.78 MAPT (0.42) LMNAMAPTKMT2APOLBTDP1
SCHEMBL11672033 0.78 GRM2 (0.49) LMNAGCGRMAPK14GAAKMT2A
SCHEMBL4860000 0.77 NPC1 (0.47) LMNAMAPTKMT2ATDP1MEN1
SCHEMBL12699499 0.75 GRM2 (0.47) LMNAGCGRMAPK14GAAKMT2A
SCHEMBL15060599 0.75 GRM2 (0.50) LMNAGCGRMAPK14MAPTKMT2A
SCHEMBL14840571 0.75 ERN1 (0.45) GCGRMAPK14GAAALDH1A1ERN1
SCHEMBL11671157 0.74 GCGR (0.46) LMNAGCGRMAPK14GAAMAPT
SCHEMBL14306404 0.74 ERN1 (0.44) LMNAMAPTRAB9ANPC1SMN1; SMN2
SCHEMBL2480683 0.73 ERN1 (0.41) LMNAMAPTALDH1A1RAB9ANPC1

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-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed