SCHEMBL20669088

SCHEMBL20669088

N=C(CCCS)NC1CCCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 3/20 0.51
▸ HDAC3 O15379 2/20 0.51
▸ HDAC2 Q92769 2/20 0.51
▸ HDAC10 Q969S8 2/20 0.51
▸ HDAC11 Q96DB2 2/20 0.51
▸ HDAC8 Q9BY41 2/20 0.51
▸ HDAC6 Q9UBN7 2/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ HDAC4 P56524 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.39
▸ EPHX1 P07099 6/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ EPHX2 P34913 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ NCOR2 Q9Y618 1/20 0.37

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
SCHEMBL25563633 1.00 HDAC1 (0.51) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL18571426 1.00 HDAC1 (0.51) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL18571638 1.00 HDAC1 (0.51) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL15000355 0.87 HDAC1 (0.44) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL9804119 0.86 SMN1; SMN2 (0.52) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL20835055 0.83 HDAC1 (0.41) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL11592017 0.78 SIGMAR1 (0.54) EPHX1EPHX2KMT2A
SCHEMBL11704918 0.77 HDAC3 (0.83) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL13400754 0.74 HDAC3 (0.33) HDAC1HDAC3HDAC2HDAC10HDAC11
SCHEMBL15189278 0.71 EPHX1 (0.46) SMN1; SMN2ALDH1A1EPHX1CYP3A4NPC1

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
US-20190021672-A1 SYSTEMS AND METHODS FOR CONTINUOUS HEALTH MONITORING USING AN OPTO-ENZYMATIC ANALYTE SENSOR WILLOW LABORATORIES, INC. 2019-01-24 — — US disclosed
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