SCHEMBL8525825

SCHEMBL8525825

[CH2]OC(=O)[C@@H](N)Cc1ccc(C(C)(C)C)cc1C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ KIF11 P52732 1/20 0.34
▸ SCN10A Q9Y5Y9 1/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ GRIN2D O15399 1/20 0.33
▸ GRIN3B O60391 1/20 0.33
▸ GRIN1 Q05586 1/20 0.33
▸ GRIN2A Q12879 1/20 0.33
▸ GRIN2B Q13224 1/20 0.33
▸ GRIN2C Q14957 1/20 0.33
▸ GRIN3A Q8TCU5 1/20 0.33
▸ SLC1A5 Q15758 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ EPHX1 P07099 1/20 0.32
▸ NR1I2 O75469 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ EPHX2 P34913 1/20 0.32

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
SCHEMBL17675101 0.83 KIF11 (0.46) MEN1KMT2AKIF11L3MBTL1NR1H4
SCHEMBL10972221 0.73 ALDH1A1 (0.39) KMT2AHTTNR1I2ALDH1A1LMNA
SCHEMBL25161987 0.71 ALDH1A1 (0.40) MEN1KMT2AHTTCYP2C19CYP1A2
SCHEMBL27885836 0.71 CYP2C19 (0.40) MEN1KMT2AHTTCYP2C19CYP1A2
SCHEMBL20099494 0.70 ALDH1A1 (0.44) MEN1KMT2AKIF11SCN10ACYP2C19
SCHEMBL6584398 0.69 ALOX15 (0.51) MEN1KMT2AHTTL3MBTL1NR1I2
SCHEMBL9513810 0.69 ALOX15 (0.51) MEN1KMT2AHTTL3MBTL1NR1I2
SCHEMBL27535126 0.69 ALOX15 (0.51) MEN1KMT2AHTTL3MBTL1NR1I2
SCHEMBL1447610 0.69 KLF10 (0.47) MEN1KMT2AKIF11SCN10ACYP2C19
SCHEMBL9259675 0.68 CYP2C19 (0.43) CYP2C19NR1I2CYP1A2EPHX2NR1H4

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
WO-1999048997-A1 STABILISATION OF ORGANIC MATERIALS CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 1999-09-30 — — WO disclosed
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