SCHEMBL13963373

SCHEMBL13963373

CCCN(C)c1ccc(/C=C/C23OCCN2c2ccc(C(=O)NCCSSCCNC(=O)c4ccc5c(c4)C(C)(C)C4(/C=C/c6ccc(N(C)CCCN(C)C)cc6)OCCN54)cc2C3(C)C)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.34
▸ LMNA P02545 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 3/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC4 P56524 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC2 Q92769 1/20 0.33
▸ HDAC8 Q9BY41 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ HDAC9 Q9UKV0 1/20 0.33
▸ NAMPT P43490 5/20 0.33
▸ GFER P55789 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ HTT P42858 1/20 0.31
▸ CA12 O43570 2/20 0.31
▸ CA9 Q16790 2/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ CA1 P00915 1/20 0.30

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
SCHEMBL13963654 0.92 HDAC3 (0.32) ALDH1A1MAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL13963047 0.87 HDAC3 (0.36) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL13963347 0.87 HDAC3 (0.34) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL13963054 0.86 HDAC3 (0.31) ALDH1A1MAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL13963428 0.85 HDAC3 (0.34) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL13963421 0.84 — —
SCHEMBL13963652 0.84 HDAC3 (0.33) ALDH1A1MAPTSMN1; SMN2HDAC3HDAC4
SCHEMBL13963346 0.83 HDAC3 (0.34) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL13963406 0.82 NAMPT (0.38) ALDH1A1LMNAGAAMAPTSMN1; SMN2
SCHEMBL13963423 0.81 ALDH1A1 (0.39) ALDH1A1LMNAGAAMAPTSMN1; 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
WO-2009010694-A2 DYEING METHOD USING A STYRYL- OR IMINE-TYPE DISULFIDE/THIOL COMPOUND AND STIMULI, COMPOSITION AND DEVICE FOR IMPLEMENTING SAME L'OREAL (FR) 2009-01-22 — — WO disclosed
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