SCHEMBL10788300

SCHEMBL10788300

CCN(CC(=O)OCc1ccccc1)c1cccc(C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 6/20 0.45
▸ RAB9A P51151 4/20 0.45
▸ NPC1 O15118 3/20 0.45
▸ JAK2 O60674 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ MAPK1 P28482 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ TSPO P30536 1/20 0.44
▸ MEN1 O00255 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ LMNA P02545 2/20 0.41
▸ POLB P06746 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ USP2 O75604 1/20 0.40
▸ MAPT P10636 1/20 0.40

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
SCHEMBL10784602 0.88 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1JAK2HTT
SCHEMBL10908908 0.85 RAB9A (0.42) ALDH1A1RAB9ANPC1JAK2HTT
SCHEMBL10908501 0.85 RAB9A (0.42) ALDH1A1RAB9ANPC1JAK2HTT
SCHEMBL10787316 0.84 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1JAK2HTT
SCHEMBL16318959 0.81 TSPO (0.49) ALDH1A1L3MBTL1TSPOMEN1KMT2A
SCHEMBL4533147 0.81 ALDH1A1 (0.51) ALDH1A1RAB9ANPC1MAPK1L3MBTL1
SCHEMBL8914838 0.81 ALDH1A1 (0.42) ALDH1A1RAB9ANPC1HTTMAPK1
SCHEMBL11143893 0.81 POLQ (0.43) ALDH1A1MEN1KMT2ALMNACYP3A4
SCHEMBL28549745 0.79 ALDH1A1 (0.47) ALDH1A1RAB9ANPC1JAK2HTT
SCHEMBL13603920 0.79 ALDH1A1 (0.59) ALDH1A1MAPK1L3MBTL1KMT2ALMNA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0109857-B1 MONOAZO DYE FOR SYNTHETIC FIBERS RESEARCH ASSOCIATION OF SYNTHETIC DYESTUFFS (JP) 1987-02-11 — — EP disclosed
US-4564673-A 3-Cyano-5-nitrothiophene anilino monoazo dye for synthetic fibers RESEARCH ASSOCIATION OF SYNTHETIC DYESTUFFS (JP) 1986-01-14 — — US disclosed
EP-0109857-A1 Monoazo dye for synthetic fibers RESEARCH ASSOCIATION OF SYNTHETIC DYESTUFFS (JP) 1984-05-30 — — EP disclosed
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