SCHEMBL28825748

SCHEMBL28825748

Cc1ccc(NC2CC(C(=O)O)=C(Nc3ccccc3)CC2C(=O)O)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 2/20 0.41
▸ ACHE P22303 4/20 0.40
▸ GAA P10253 4/20 0.38
▸ MAPT P10636 3/20 0.38
▸ LMNA P02545 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ HTT P42858 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.35
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ NPC1 O15118 2/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ AKR1C3 P42330 1/20 0.34
▸ AKR1C2 P52895 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ FAAH O00519 1/20 0.34

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
SCHEMBL1415627 0.92 MAPT (0.40) HPGDACHEGAAMAPTSMN1; SMN2
SCHEMBL28825750 0.83 AKR1C3 (0.41) ACHEGAAMAPTLMNASMN1; SMN2
SCHEMBL3900452 0.76 ACHE (0.45) HPGDACHEGAAMAPTLMNA
SCHEMBL28825749 0.74 HPGD (0.55) HPGDACHEGAAMAPTSMN1; SMN2
SCHEMBL3909908 0.74 ACHE (0.44) HPGDACHEMAPTNPC1RAB9A
SCHEMBL3911811 0.73 ACHE (0.47) HPGDACHEGAAMAPTLMNA
SCHEMBL1415514 0.69 AKR1C3 (0.46) HPGDGAAMAPTSMN1; SMN2HTT
SCHEMBL9065024 0.69 LMNA (0.40) HPGDACHEGAAMAPTLMNA
SCHEMBL10394075 0.68 ALDH1A1 (0.39) HPGDACHEMAPTLMNASMN1; SMN2
SCHEMBL10393718 0.68 TSHR (0.40) HPGDACHEMAPTLMNASMN1; SMN2

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
CN-105189659-A Quinacridone pigment of low amine content and method for producing same DAINIPPON INK & CHEMICALS 2015-12-23 — — CN disclosed
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