SCHEMBL23774660

SCHEMBL23774660

CN(C)c1ccc2c(c1)C(C)(C)c1cc(N(C)C)ccc1C21OC(=O)c2c(C(=O)NCCCCCC(=O)O)cccc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ HDAC6 Q9UBN7 6/20 0.37
▸ HDAC3 O15379 4/20 0.37
▸ HDAC1 Q13547 4/20 0.37
▸ HDAC4 P56524 3/20 0.37
▸ HDAC7 Q8WUI4 3/20 0.37
▸ HDAC2 Q92769 3/20 0.37
▸ HDAC10 Q969S8 3/20 0.37
▸ HDAC11 Q96DB2 3/20 0.37
▸ HDAC8 Q9BY41 3/20 0.37
▸ HDAC9 Q9UKV0 3/20 0.37
▸ HDAC5 Q9UQL6 3/20 0.37
▸ LTA4H P09960 1/20 0.37
▸ NR1H4 Q96RI1 2/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL23764890 0.88 ALDH1A1 (0.35) ALDH1A1HDAC6HDAC3HDAC1HDAC4
SCHEMBL23774663 0.86 KCNH2 (0.35) KDM4EMAPTRAB9AHDAC6HDAC3
SCHEMBL23764878 0.82 ALDH1A1 (0.39) ALDH1A1MAPTLMNAHDAC6HDAC1
SCHEMBL23774662 0.82 KCNH2 (0.34) ALDH1A1KDM4EKMT2APOLBHIF1A
SCHEMBL23764913 0.81 ALDH1A1 (0.41) ALDH1A1KDM4EMAPTLMNAKMT2A
SCHEMBL23764891 0.71 HPGD (0.41) ALDH1A1MAPTLMNAKMT2APOLB
SCHEMBL23764900 0.69 ALDH1A1 (0.43) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL24943523 0.69 FTO (0.48) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL10436328 0.69 FTO (0.44) ALDH1A1KDM4EMAPTLMNAHDAC6
SCHEMBL23764906 0.67 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTLMNAKMT2A

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-2021160732-A1 FLUORESCENT RHODAMINE DYES WITH ENHANCED CELL PERMEABILITY Max-Planck-Gesellschaft zur Förderung der Wissenschaften e. V. (DE) 2021-08-19 — — WO disclosed
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