SCHEMBL7697782

SCHEMBL7697782

CCCC(C)=C(N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
FFAR3 O14843 3/20 0.43
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CTSD P07339 1/20 0.37
TSHR P16473 4/20 0.36
ALDH1A1 P00352 3/20 0.35
THRB P10828 1/20 0.34
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
PGGT1B P53609 1/20 0.34
ALOX15 P16050 3/20 0.33
AKR1B1 P15121 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL7413174 0.86 CES1 (0.44) CES2CES1TSHRALDH1A1THRB
SCHEMBL28176403 0.82 GPR84 (0.52) CES2CES1TSHRALDH1A1THRB
SCHEMBL28215044 0.82 CES1 (0.41) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL13122497 0.79
SCHEMBL6819427 0.79
SCHEMBL6206621 0.76 CES1 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL5468059 0.75 CTSD (0.38) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL3841638 0.74 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL6067637 0.74 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL3841640 0.74 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC8FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3976185-A1 HECT E3 LIGASE INHIBITORS AND USES THEREOF IFOM - Fondazione Istituto FIRC di Oncologia Molecolare (IT) 2022-04-06 EP disclosed
EP-1187598-A1 MICROPIGMENT MIXTURE Ciba SC Holding AG (CH) 2002-03-20 EP disclosed
WO-2000078277-A1 MICROPIGMENT MIXTURE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2000-12-28 WO disclosed