SCHEMBL6369358

SCHEMBL6369358

C#Cc1cc(C#C)cc(Oc2ccc(C34CC5CC(C3)CC(c3ccc(Oc6cc(C#C)cc(C#C)c6)cc3)(C5)C4)cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.48
ESR1 P03372 1/20 0.43
ALDH1A1 P00352 4/20 0.41
LMNA P02545 3/20 0.40
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAB9A P51151 1/20 0.38
GRIN2D O15399 1/20 0.37
GRIN3B O60391 1/20 0.37
GRIN1 Q05586 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
GRIN3A Q8TCU5 1/20 0.37
RAD52 P43351 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
SCHEMBL2763378 0.85 PGR (0.55) PGRESR1ALDH1A1LMNAMEN1
SCHEMBL6364153 0.81 ESR1 (0.45) PGRESR1ALDH1A1LMNAMEN1
SCHEMBL6392406 0.80 PGR (0.47) PGRESR1ALDH1A1LMNAMEN1
SCHEMBL2710493 0.79 ALDH1A1 (0.64) PGRESR1ALDH1A1LMNAMEN1
SCHEMBL6364219 0.78 MEN1 (0.47) PGRESR1ALDH1A1LMNAMEN1
SCHEMBL3845028 0.75 ESR1 (0.52) PGRESR1ALDH1A1LMNAMEN1
SCHEMBL2763070 0.75 PGR (0.44) PGRESR1ALDH1A1LMNAMEN1
SCHEMBL2189703 0.73 PGR (0.41) PGRALDH1A1LMNAMEN1KMT2A
SCHEMBL2763342 0.73 PGR (0.43) PGRESR1ALDH1A1LMNAMEN1
SCHEMBL27845478 0.73 LMNA (0.61) ALDH1A1LMNAMEN1KMT2AL3MBTL1

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-20050025892-A1 Composition for porous organic film SUMITOMO CHEMICAL COMPANY, LIMITED 2005-02-03 US disclosed