SCHEMBL8893086

SCHEMBL8893086

O=C(COCC(O)CO)Nc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KLK7 P49862 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.52
▸ CYP1A2 P05177 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ MAPT P10636 2/20 0.50
▸ HPGD P15428 1/20 0.50
▸ ALOX12 P18054 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ NOTUM Q6P988 1/20 0.48
▸ EPHX2 P34913 1/20 0.46
▸ GAA P10253 1/20 0.45
▸ NAMPT P43490 2/20 0.45
▸ RAB9A P51151 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ NPC1 O15118 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 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
SCHEMBL9125307 0.82 ALDH1A1 (0.65) KLK7ALDH1A1CYP1A2KDM4EMAPT
SCHEMBL29144662 0.82 ALDH1A1 (0.57) KLK7ALDH1A1CYP1A2KDM4EMAPT
SCHEMBL1141796 0.80 ALDH1A1 (0.59) KLK7ALDH1A1CYP1A2KDM4EMAPT
SCHEMBL8534248 0.80 HPGD (0.56) ALDH1A1KDM4EMAPTHPGDHTT
SCHEMBL1002985 0.79 NPC1 (0.51) ALDH1A1CYP1A2HPGDRAB9ASMN1; SMN2
SCHEMBL19905402 0.78 ALDH1A1 (0.59) KLK7ALDH1A1CYP1A2KDM4EMAPT
SCHEMBL25701 0.77 ALDH1A1 (0.63) KLK7ALDH1A1CYP1A2KDM4EMAPT
SCHEMBL9122266 0.76 ALDH1A1 (0.58) KLK7ALDH1A1CYP1A2KDM4EMAPT
SCHEMBL3667956 0.76 KMT2A (0.69) ALDH1A1CYP1A2KDM4EMAPTHPGD
SCHEMBL11883186 0.76 KDM4E (0.54) ALDH1A1CYP1A2KDM4ESMN1; SMN2LMNA

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-5686254-A Reduction in first slide bias and improved enzyme stability by the incorporation of diaryl tellurides in thin-film immunoassay elements JOHNSON & JOHNSON CLINICAL DIAGNOSTICS, INC. (US) 1997-11-11 — — US disclosed
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