SCHEMBL10550010

SCHEMBL10550010

O=C(Nc1ccc(O)cc1)c1ccc(OC2CCCCO2)cc1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DEGS1 O15121 1/20 0.54
NPC1 O15118 4/20 0.49
RAB9A P51151 4/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
ALDH1A1 P00352 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
TAAR1 Q96RJ0 1/20 0.44

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
SCHEMBL222919 0.83 MEN1 (0.43) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL15093959 0.83 MEN1 (0.43) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL15093765 0.83 MEN1 (0.43) NPC1RAB9AALDH1A1MEN1KMT2A
SCHEMBL5864259 0.81 MCHR1 (0.55) NPC1RAB9ALMNASMN1; SMN2ALDH1A1
SCHEMBL13169522 0.80 NPC1 (0.62) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL217929 0.79 TNK2 (0.43) ALDH1A1MEN1KMT2A
SCHEMBL1186911 0.79 MEN1 (0.52) NPC1RAB9ALMNASMN1; SMN2MEN1
SCHEMBL10499836 0.79 EPHX2 (0.45) NPC1RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL15214979 0.78 ALDH1A1 (0.41) LMNASMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL7155013 0.78 ALDH1A1 (0.41) LMNASMN1; SMN2ALDH1A1MEN1KMT2A

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-4824993-A SYNTHETIC PROSTAGLANDINS, ANTISECRETORY AGENTS GLAXO GROUP LIMITED (GB) 1989-04-25 US disclosed