SCHEMBL11040887

SCHEMBL11040887

CCC(C)CCCCNc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.55
MAPT P10636 1/20 0.55
KCNH3 Q9ULD8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HDAC3 O15379 4/20 0.39
HDAC1 Q13547 4/20 0.39
HDAC2 Q92769 4/20 0.39
HDAC4 P56524 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC10 Q969S8 3/20 0.39
HDAC11 Q96DB2 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
HDAC6 Q9UBN7 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
NCOR2 Q9Y618 1/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 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
SCHEMBL10606669 0.95 ALDH1A1 (0.57) ALDH1A1MAPTKCNH3L3MBTL1HDAC3
SCHEMBL20318842 0.92 ALDH1A1 (0.50) ALDH1A1MAPTKCNH3L3MBTL1HDAC3
SCHEMBL11516384 0.91 PRSS1 (0.40) ALDH1A1MAPTKCNH3L3MBTL1KMT2A
SCHEMBL6284685 0.87 MAPT (0.50) ALDH1A1MAPTL3MBTL1KMT2ATDP1
SCHEMBL12993821 0.83 ALDH1A1 (0.61) ALDH1A1MAPTKCNH3L3MBTL1HDAC3
SCHEMBL28846671 0.83 PRSS1 (0.39) ALDH1A1MAPTL3MBTL1KMT2ATDP1
SCHEMBL11046087 0.82 ALDH1A1 (0.55) ALDH1A1MAPTKCNH3L3MBTL1HDAC3
SCHEMBL6938804 0.81 ALDH1A1 (0.59) ALDH1A1MAPTKCNH3L3MBTL1HDAC3
SCHEMBL11293624 0.81 ALDH1A1 (0.59) ALDH1A1MAPTKCNH3L3MBTL1HDAC3
SCHEMBL11039228 0.81 ALDH1A1 (0.59) ALDH1A1MAPTKCNH3L3MBTL1HDAC3

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-4468526-A Process for the preparation of thiuram disulfides AKZONA INCORPORATED (US) 1984-08-28 US disclosed