SCHEMBL9391738

SCHEMBL9391738

COc1cc(C)c(O)cc1NCC(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.40
▸ MAPT P10636 4/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ GAA P10253 4/20 0.40
▸ LMNA P02545 3/20 0.40
▸ SMN1; SMN2 Q16637 3/20 0.40
▸ TDP1 Q9NUW8 2/20 0.40
▸ ELANE P08246 1/20 0.39
▸ HPGD P15428 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ TUBB4A P04350 1/20 0.38
▸ TUBB P07437 1/20 0.38
▸ TUBA3C P0DPH7 1/20 0.38
▸ TUBA1B P68363 1/20 0.38
▸ TUBA4A P68366 1/20 0.38
▸ TUBB4B P68371 1/20 0.38
▸ TUBB3 Q13509 1/20 0.38
▸ TUBB2A Q13885 1/20 0.38
▸ TUBB8 Q3ZCM7 1/20 0.38
▸ TUBA3E Q6PEY2 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
SCHEMBL9193505 0.79 CYP3A4 (0.44) ALDH1A1MAPTLMNATSHRTUBB4A
SCHEMBL24714329 0.77 MAPT (0.57) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL687380 0.76 TUBB4A (0.40) ALDH1A1MAPTKDM4EGAALMNA
Hydrochloric Acid SCHEMBL9192756 0.75 TUBB4A (0.43) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL9196057 0.74 MEN1 (0.53) ALDH1A1MAPTKDM4EGAAHPGD
SCHEMBL11083797 0.74 GAA (0.49) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL11338267 0.74 RAD52 (0.51) ALDH1A1MAPTKDM4EGAALMNA
SCHEMBL9194144 0.74 TUBB4A (0.39) MAPTTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL9191290 0.73 RET (0.40) ALDH1A1MAPTKDM4ELMNAELANE
SCHEMBL9194412 0.73 FLT1 (0.47) ALDH1A1MAPTSMN1; SMN2KMT2AMEN1

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
JP-6032769-A — — None — — JP disclosed
JP-H0632769-A 2-ALKYL-4-METHOXY-5-AMINOPHENOL DERIVATIVE OR ITS SALT AND KERATIN FIBER COLORANT COMPOSITION CONTAINING THE SAME KAO CORP 1994-02-08 — — JP disclosed
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