SCHEMBL28136018

SCHEMBL28136018

CCC(N)(N)CCC(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
CYP1A2 P05177 1/20 0.61
THRB P10828 1/20 0.61
FFAR3 O14843 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
NAALAD2 Q9Y3Q0 1/20 0.39
AKR1B1 P15121 1/20 0.39
LMNA P02545 1/20 0.38
ALKBH5 Q6P6C2 1/20 0.38
SUCNR1 Q9BXA5 1/20 0.38
EGLN1 Q9GZT9 1/20 0.38
GPR84 Q9NQS5 7/20 0.37
PPARG P37231 7/20 0.37
PPARD Q03181 7/20 0.37
PPARA Q07869 7/20 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
SCHEMBL27918817 0.84 KMT2A (0.52) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL7449339 0.83 ALDH1A1 (0.54) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL28164678 0.80 ALDH1A1 (0.61) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL8768552 0.77 THRB (0.46) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL1308931 0.76 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL179812 0.76 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL5485081 0.76 ALDH1A1 (1.00) ALDH1A1MEN1KMT2ACYP1A2THRB
SCHEMBL2147218 0.76 GPR84 (0.56) ALDH1A1MEN1KMT2AAKR1B1GPR84
SCHEMBL29132419 0.76 GPR84 (0.56) ALDH1A1MEN1KMT2AAKR1B1GPR84
SCHEMBL28738124 0.76 GPR84 (0.56) ALDH1A1MEN1KMT2AAKR1B1GPR84

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106661418-B Adhesive agent 克瑙夫绝缘私人有限公司 2021-07-09 CN disclosed
CN-106661418-A Adhesive agent 克瑙夫绝缘私人有限公司 2017-05-10 CN disclosed