SCHEMBL29635322

SCHEMBL29635322

O=C(O)CNCCCCSCCCCCNCCCCS

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 3/20 0.41
BHMT Q93088 2/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
HSD17B10 Q99714 2/20 0.34
LMNA P02545 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
GMNN O75496 1/20 0.34
TP53 P04637 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL4018617 0.79
SCHEMBL9267728 0.77 LMNA (0.61) FOLH1BHMTHSD17B10LMNAKMT2A
SCHEMBL18045569 0.77 MAOA (0.50) LMNAMAOAMAOBALDH1A1LTA4H
SCHEMBL18045567 0.77 MAOA (0.50) LMNAMAOAMAOBALDH1A1LTA4H
SCHEMBL31496768 0.76 HSD17B10 (0.58) BHMTHDAC3HDAC4HDAC1HDAC7
SCHEMBL11363062 0.75 LMNA (0.64) FOLH1BHMTHSD17B10LMNAKMT2A
SCHEMBL7719757 0.74 BHMT (0.49) FOLH1BHMTHSD17B10LMNAKMT2A
SCHEMBL18045572 0.74 MAOA (0.46) LMNAMAOAMAOBALDH1A1LTA4H
SCHEMBL29741372 0.73 MAOA (0.41) BHMTHDAC3HDAC4HDAC1HDAC7
SCHEMBL2185204 0.72 TSHR (0.52) BHMTHSD17B10LMNAKMT2ATDP1

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
EP-3996749-A1 PEPTIDE CONJUGATES OF MICROTUBULE-TARGETING AGENTS AS THERAPEUTICS Cybrexa 3, Inc. (US) 2022-05-18 EP disclosed