SCHEMBL28665502

SCHEMBL28665502

CCC(=O)OCCN(CC)c1cccc(C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GFER P55789 2/20 0.47
▸ PPARG P37231 1/20 0.46
▸ ALDH1A1 P00352 6/20 0.44
▸ MEN1 O00255 4/20 0.44
▸ KMT2A Q03164 4/20 0.44
▸ MAPT P10636 6/20 0.44
▸ LMNA P02545 3/20 0.43
▸ USP2 O75604 2/20 0.43
▸ CYP3A4 P08684 2/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ NPSR1 Q6W5P4 3/20 0.42
▸ HPGD P15428 2/20 0.42
▸ HTT P42858 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ TP53 P04637 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ GPX4 P36969 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
SCHEMBL9651127 0.91 ALDH1A1 (0.47) GFERPPARGALDH1A1MEN1KMT2A
SCHEMBL9349867 0.87 GFER (0.48) GFERPPARGALDH1A1MEN1KMT2A
SCHEMBL11745632 0.87 GFER (0.44) GFERPPARGALDH1A1MEN1KMT2A
SCHEMBL9012937 0.86 GFER (0.51) GFERPPARGALDH1A1MEN1KMT2A
SCHEMBL11519483 0.85 GFER (0.49) GFERPPARGALDH1A1MEN1KMT2A
SCHEMBL28648224 0.84 MTNR1A (0.43) ALDH1A1TP53NPC1GPX4RAB9A
SCHEMBL17858617 0.84 SMN1; SMN2 (0.44) ALDH1A1MEN1KMT2AMAPTLMNA
SCHEMBL11593677 0.83 GFER (0.41) GFERPPARGALDH1A1MEN1KMT2A
SCHEMBL7769802 0.83 LMNA (0.50) GFERPPARGALDH1A1MEN1KMT2A
SCHEMBL20599113 0.83 GFER (0.45) GFERPPARGALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113583468-A Dispersed brown and preparation method thereof 上海安诺其集团股份有限公司 2021-11-02 — — CN claimed
CN-113583468-A Dispersed brown and preparation method thereof 上海安诺其集团股份有限公司 2021-11-02 — — CN disclosed
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