SCHEMBL11513690

SCHEMBL11513690

C=C1C[C@H]2[C@@H]3C=C(F)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(O)C(C)=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.58
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
TDP1 Q9NUW8 1/20 0.58
FNTA P49354 1/20 0.57
FNTB P49356 1/20 0.57
PGR P06401 3/20 0.55
AR P10275 3/20 0.55
CHRM1 P11229 2/20 0.55
SMN1; SMN2 Q16637 4/20 0.49
NR3C1 P04150 4/20 0.49
HIF1A Q16665 3/20 0.49
CYP2C9 P11712 2/20 0.49
NPSR1 Q6W5P4 2/20 0.49
CYP3A4 P08684 2/20 0.49
MAPK1 P28482 2/20 0.49
ABCB11 O95342 1/20 0.49
POLB P06746 1/20 0.49
CYP2C19 P33261 3/20 0.48
ADORA3 P0DMS8 2/20 0.48

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
SCHEMBL11513687 1.00 LMNA (0.58) LMNAMEN1KMT2ATDP1FNTA
SCHEMBL10868391 0.89 LMNA (0.72) LMNAMEN1KMT2ATDP1FNTA
SCHEMBL1650395 0.89 LMNA (0.72) LMNAMEN1KMT2ATDP1FNTA
SCHEMBL144436 0.89 LMNA (0.72) LMNAMEN1KMT2ATDP1FNTA
SCHEMBL11512435 0.88 FNTA (0.73) LMNAMEN1KMT2ATDP1FNTA
Acetic Acid SCHEMBL4521 0.87 LMNA (0.70) LMNAMEN1KMT2ATDP1FNTA
SCHEMBL30291851 0.84 LMNA (0.81) LMNAMEN1KMT2ATDP1FNTA
SCHEMBL11510962 0.83 PGR (0.78) LMNAMEN1KMT2ATDP1PGR
SCHEMBL8859777 0.80 LMNA (0.67) LMNAMEN1KMT2ATDP1FNTA
SCHEMBL3046233 0.80 PGR (0.59) LMNAMEN1KMT2ATDP1FNTA

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-4177269-A ANTITUMOR AGENTS AKTIEBOLAGET LEO (SE) 1979-12-04 US disclosed