SCHEMBL23253744

SCHEMBL23253744

CCCC(NC(=O)C(N)Cc1ccccc1)C(=O)Nc1ccc(CO)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 2/20 0.46
▸ HDAC4 P56524 2/20 0.46
▸ HDAC1 Q13547 2/20 0.46
▸ HDAC2 Q92769 2/20 0.46
▸ HDAC8 Q9BY41 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ MEN1 O00255 1/20 0.46
▸ BACE1 P56817 2/20 0.46
▸ CTSC P53634 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PLG P00747 1/20 0.45
▸ PLAU P00749 1/20 0.45
▸ KLKB1 P03952 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SPHK1 Q9NYA1 3/20 0.44
▸ SPHK2 Q9NRA0 1/20 0.44

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
SCHEMBL15702056 0.93 SSTR3 (0.50) SPHK1SPHK2
SCHEMBL13166473 0.92 SPHK1 (0.50) SPHK1SPHK2
SCHEMBL14140557 0.87 LTA4H (0.52) BACE1PLG
SCHEMBL19719375 0.87 LTA4H (0.52) BACE1PLG
SCHEMBL26025959 0.86 OPRK1 (0.49) KMT2AMEN1BACE1
SCHEMBL16450329 0.84 SMN1; SMN2 (0.46) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL23286133 0.84 SMN1; SMN2 (0.46) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL28356671 0.84 BACE1 (0.60) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL23477267 0.84 BACE1 (0.60) HDAC3HDAC4HDAC1HDAC2HDAC8
SCHEMBL29651398 0.81 GNPAT (0.56) HDAC3HDAC4HDAC1HDAC2HDAC8

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-3030244-B1 POLYCONJUGATES FOR DELIVERY OF RNAI TRIGGERS TO TUMOR CELLS IN VIVO ARROWHEAD PHARMACEUTICALS INC (US) 2021-04-21 — — EP disclosed
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