SCHEMBL8744893

SCHEMBL8744893

[CH2]c1ccc(C=C(NC=O)c2ccc(C(=Cc3ccc([CH2])cc3)NC=O)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
GLA P06280 1/20 0.34
POLB P06746 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31

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
SCHEMBL8744885 0.81 ALDH1A1 (0.44) ALDH1A1POLBL3MBTL1ESR1
SCHEMBL8792908 0.71 MAPK1 (0.44) ALDH1A1POLBL3MBTL1
SCHEMBL8744959 0.69 AKR1C1 (0.43) ALDH1A1POLBTDP1L3MBTL1
SCHEMBL8744879 0.63 ALDH1A1 (0.41) ALDH1A1POLB
SCHEMBL7220249 0.62
SCHEMBL28910813 0.62 ALDH1A1 (0.41) ALDH1A1GLAPOLBTDP1L3MBTL1
SCHEMBL16288677 0.62 ALDH1A1 (0.33) ALDH1A1GLAPOLBTDP1L3MBTL1
SCHEMBL11211096 0.62 RAB9A (0.39) ALDH1A1POLBTDP1
SCHEMBL7975741 0.61 EGFR (0.52) ALDH1A1POLBTDP1L3MBTL1
SCHEMBL16288855 0.60 ALDH5A1 (0.50) ALDH1A1ESR1ESR2

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
EP-0754693-A2 Novel aminophenylphosphonic acid derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-01-22 EP disclosed