SCHEMBL11512031

SCHEMBL11512031

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.68
MEN1 O00255 2/20 0.68
KMT2A Q03164 2/20 0.68
TDP1 Q9NUW8 1/20 0.68
AR P10275 5/20 0.61
PGR P06401 5/20 0.61
NR3C1 P04150 5/20 0.61
CYP3A4 P08684 4/20 0.61
SMN1; SMN2 Q16637 3/20 0.61
MAPK1 P28482 3/20 0.61
HIF1A Q16665 2/20 0.61
NPSR1 Q6W5P4 2/20 0.61
CHRM1 P11229 2/20 0.61
ALDH1A1 P00352 2/20 0.61
CHRM2 P08172 2/20 0.61
ADORA3 P0DMS8 1/20 0.61
THRB P10828 1/20 0.61
TBXA2R P21731 1/20 0.61
CYP2C19 P33261 1/20 0.61
ADRA1A P35348 1/20 0.61

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
SCHEMBL30152035 0.91 LMNA (0.81) LMNAMEN1KMT2ATDP1AR
SCHEMBL11512435 0.81 FNTA (0.73) LMNAMEN1KMT2ATDP1AR
Melengestrol Acetate SCHEMBL15079259 0.81 LMNA (1.00) LMNAMEN1KMT2ATDP1AR
Melengestrol Acetate SCHEMBL4520 0.81 LMNA (1.00) LMNAMEN1KMT2ATDP1AR
Melengestrol Acetate SCHEMBL10867312 0.81 LMNA (1.00) LMNAMEN1KMT2ATDP1AR
Melengestrol Acetate SCHEMBL16389279 0.81 LMNA (1.00) LMNAMEN1KMT2ATDP1AR
Melengestrol Acetate SCHEMBL13778228 0.81 LMNA (1.00) LMNAMEN1KMT2ATDP1AR
Melengestrol Acetate SCHEMBL31477812 0.80 LMNA (0.91) LMNAMEN1KMT2ATDP1AR
SCHEMBL8859712 0.80 LMNA (0.78) LMNAMEN1KMT2ATDP1AR
SCHEMBL30291851 0.80 LMNA (0.81) LMNAMEN1KMT2ATDP1AR

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