SCHEMBL27292832

SCHEMBL27292832

CNCCCCCC(=O)NC(COC(c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)C(C)OP(OCCC#N)N(C(C)C)C(C)C

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.34
▸ HDAC6 Q9UBN7 5/20 0.33
▸ ALDH1A1 P00352 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ CTSD P07339 1/20 0.30
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 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
SCHEMBL18349841 0.91 HDAC1 (0.35) GAAHDAC6ALDH1A1KMT2ASMN1; SMN2
SCHEMBL20371110 0.81 — —
SCHEMBL20233444 0.81 GAA (0.34) GAAHDAC6ALDH1A1KMT2AKDM4E
SCHEMBL19731703 0.80 HPGD (0.38) GAAHDAC6ALDH1A1KMT2ACYP3A4
SCHEMBL4919160 0.79 GAA (0.36) GAAHDAC6ALDH1A1KMT2AKDM4E
SCHEMBL21431166 0.79 HDAC6 (0.38) HDAC6ALDH1A1SMN1; SMN2CYP3A4CYP2D6
SCHEMBL21431255 0.79 HDAC6 (0.38) HDAC6ALDH1A1SMN1; SMN2CYP3A4CYP2D6
SCHEMBL29929002 0.78 MDM2 (0.32) KMT2A
SCHEMBL862048 0.78 PBRM1 (0.32) GAAALDH1A1CYP3A4CYP2D6CYP2C19
SCHEMBL12191613 0.77 SMN1; SMN2 (0.33) GAAHDAC6ALDH1A1KMT2AMEN1

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-2024002924-A2 FLUORESCENT DYES WITH LARGE STOKES SHIFT F. HOFFMANN-LA ROCHE AG (CH) 2024-01-04 — — WO disclosed
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