SCHEMBL16617204

SCHEMBL16617204

CCN(CCC(=O)O)c1cccc(N)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ THRA P10827 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ FFAR1 O14842 1/20 0.40
▸ GFER P55789 2/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ GAA P10253 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ NOX1 Q9Y5S8 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC1 Q13547 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38

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
SCHEMBL15264207 0.91 SRC (0.44) ALDH1A1CYP3A4THRATHRBFFAR1
SCHEMBL11879900 0.91 FFAR1 (0.43) ALDH1A1CYP3A4THRATHRBFFAR1
SCHEMBL27993892 0.87 ALDH1A1 (0.41) ALDH1A1CYP3A4THRBGFERMEN1
SCHEMBL15263449 0.87 ALDH1A1 (0.41) ALDH1A1CYP3A4GFERMEN1KMT2A
SCHEMBL397442 0.83 GFER (0.54) ALDH1A1CYP3A4GFERMEN1KMT2A
SCHEMBL27763796 0.82 THRA (0.49) ALDH1A1CYP3A4THRATHRBGFER
SCHEMBL8018555 0.82 KMT2A (0.54) ALDH1A1GFERMEN1KMT2AGAA
Hydrochloric Acid SCHEMBL11594933 0.82 GFER (0.53) ALDH1A1CYP3A4GFERMEN1KMT2A
SCHEMBL11793328 0.82 MAPT (0.50) ALDH1A1CYP3A4THRATHRBMEN1
SCHEMBL3725884 0.81 ALDH1A1 (0.49) ALDH1A1CYP3A4THRBGFERMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2828339-B1 CARBOXYLATE DYES MILLIKEN & CO (US) 2018-10-31 — — EP disclosed
US-9187717-B2 Carboxylate dyes MILLIKEN & COMPANY (US) 2015-11-17 — — US disclosed
US-20150099869-A1 Carboxylate Dyes MILLIKEN & COMPANY 2015-04-09 — — US disclosed
CN-104350106-A Laundry care compositions containing dyes PROCTER & GAMBLE 2015-02-11 — — CN disclosed
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